smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(N2CC[C@H](C[NH2+]C3CC3)C2)cc1 ZINC000053010446 521043084 /nfs/dbraw/zinc/04/30/84/521043084.db2.gz PMEKHAWNTOVFRD-CYBMUJFWSA-N 1 0 260.381 2.664 10 10 CFCERO CCCN(C)c1c(F)cc(C[NH2+]CCOC)cc1F ZINC000062735305 521513870 /nfs/dbraw/zinc/51/38/70/521513870.db2.gz VCLMFASDBCCXNR-UHFFFAOYSA-N 1 0 272.339 2.547 10 10 CFCERO CN(C)c1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000085630773 522214766 /nfs/dbraw/zinc/21/47/66/522214766.db2.gz XXAIBBCYGMGYRM-JYJNAYRXSA-N 1 0 274.408 2.656 10 10 CFCERO COCCN(C)c1c(F)cc(C[NH2+]C(C)C)cc1F ZINC000062712174 523634900 /nfs/dbraw/zinc/63/49/00/523634900.db2.gz XSBCVXPXESOGOH-UHFFFAOYSA-N 1 0 272.339 2.545 10 10 CFCERO COCCN(C)c1ccc(C[NH2+]C(C)C)cc1C ZINC000050561307 523637303 /nfs/dbraw/zinc/63/73/03/523637303.db2.gz BXSUCXDEEXTOMY-UHFFFAOYSA-N 1 0 250.386 2.576 10 10 CFCERO COc1ccc(N2CC[C@@H](C[NH2+]C(C)(C)C)C2)cc1 ZINC000053010092 524440634 /nfs/dbraw/zinc/44/06/34/524440634.db2.gz DWPUOOONXZPKFI-ZDUSSCGKSA-N 1 0 262.397 2.910 10 10 CFCERO COc1ccc(N2C[C@@H](C)C[NH2+]C[C@H](C)C2)c(C)c1 ZINC000061568999 524445536 /nfs/dbraw/zinc/44/55/36/524445536.db2.gz KHUFHHISORZVGR-STQMWFEESA-N 1 0 262.397 2.685 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N2CCO[C@@H](C)C2)c(Cl)c1 ZINC000061694062 525028482 /nfs/dbraw/zinc/02/84/82/525028482.db2.gz OMZJAJPYEIJQHV-VHSXEESVSA-N 1 0 254.761 2.585 10 10 CFCERO Cc1cc(N2CCOCC2)ccc1C[NH2+]CC(C)C ZINC000062734103 525086409 /nfs/dbraw/zinc/08/64/09/525086409.db2.gz ZSVODWRUJGAWHJ-UHFFFAOYSA-N 1 0 262.397 2.577 10 10 CFCERO Nc1ccc(OCC[NH+]2Cc3ccccc3C2)cc1 ZINC000050909924 527496280 /nfs/dbraw/zinc/49/62/80/527496280.db2.gz RKZMCSHMNBAGNZ-UHFFFAOYSA-N 1 0 254.333 2.663 10 10 CFCERO Nc1cccc(Cl)c1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049564309 527518505 /nfs/dbraw/zinc/51/85/05/527518505.db2.gz RUQUFIGMPCXPJW-CHWSQXEVSA-N 1 0 265.788 2.961 10 10 CFCERO CC[C@H]1CN(c2ccc(OC)c(F)c2)[C@@H](CC)C[NH2+]1 ZINC000083493185 536160896 /nfs/dbraw/zinc/16/08/96/536160896.db2.gz DBGDWSVQVVTMIJ-RYUDHWBXSA-N 1 0 266.360 2.801 10 10 CFCERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1ccc2c(c1)OCO2 ZINC000083548513 536169543 /nfs/dbraw/zinc/16/95/43/536169543.db2.gz FOMGYRFXVWCJGF-JSGCOSHPSA-N 1 0 276.380 2.628 10 10 CFCERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(OC)c(C)cc1O ZINC000160344743 618013894 /nfs/dbraw/zinc/01/38/94/618013894.db2.gz DQSXNIIGDPYMII-HNNXBMFYSA-N 1 0 292.423 2.625 10 10 CFCERO Cc1cc(Br)cc([C@H]([NH3+])C2CC2)c1O ZINC000095717010 618288138 /nfs/dbraw/zinc/28/81/38/618288138.db2.gz FWBQXONZZJWACK-SNVBAGLBSA-N 1 0 256.143 2.873 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@H](C)O ZINC000309923191 618895183 /nfs/dbraw/zinc/89/51/83/618895183.db2.gz UCZUDTDAFIKQKJ-VGMNWLOBSA-N 1 0 288.185 2.575 10 10 CFCERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000094617802 619132898 /nfs/dbraw/zinc/13/28/98/619132898.db2.gz ZGDXVCASVABOAG-WCQYABFASA-N 1 0 266.360 2.666 10 10 CFCERO CCN1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000228672004 620072892 /nfs/dbraw/zinc/07/28/92/620072892.db2.gz BYUXGSVXSZYPQN-CYBMUJFWSA-N 1 0 298.814 2.628 10 10 CFCERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C)ccc1O ZINC000184054319 625571150 /nfs/dbraw/zinc/57/11/50/625571150.db2.gz NNYNWRKWYUBTHR-HZPDHXFCSA-N 1 0 274.408 2.759 10 10 CFCERO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000164337961 622949387 /nfs/dbraw/zinc/94/93/87/622949387.db2.gz WTDUCRZPNDSUCA-AWEZNQCLSA-N 1 0 285.391 2.732 10 10 CFCERO Cn1cc([C@@H]2CC[N@H+](Cc3cc4c(cc3O)CCC4)C2)cn1 ZINC000116257970 636323575 /nfs/dbraw/zinc/32/35/75/636323575.db2.gz HCKZOGKXYKPFNS-OAHLLOKOSA-N 1 0 297.402 2.604 10 10 CFCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000245969731 650847377 /nfs/dbraw/zinc/84/73/77/650847377.db2.gz ZNEXPFLQLSDNDG-SDDDUWNISA-N 1 0 299.370 2.710 10 10 CFCERO CN(C)c1ccc([C@@H]([NH3+])Cc2nc3ccccc3[nH]2)cc1 ZINC000006871554 346215956 /nfs/dbraw/zinc/21/59/56/346215956.db2.gz SUOLCRXXLCYSAI-AWEZNQCLSA-N 1 0 280.375 2.871 10 10 CFCERO Cc1c(O)c(O)cc2c1CC[NH2+]C[C@@H]2c1ccccc1 ZINC000026400492 372318102 /nfs/dbraw/zinc/31/81/02/372318102.db2.gz GNVDGBRXYQPWSR-OAHLLOKOSA-N 1 0 269.344 2.684 10 10 CFCERO Cc1cc(O)c(C[N@@H+]2CCN3CCCC[C@@H]3C2)cc1C ZINC000092616068 375130765 /nfs/dbraw/zinc/13/07/65/375130765.db2.gz DFSRDDIMJWOUGY-MRXNPFEDSA-N 1 0 274.408 2.679 10 10 CFCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000186101645 381822835 /nfs/dbraw/zinc/82/28/35/381822835.db2.gz XDEQILXFLDUTNJ-WWGRRREGSA-N 1 0 292.423 2.780 10 10 CFCERO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000245513940 383003550 /nfs/dbraw/zinc/00/35/50/383003550.db2.gz DVRGRFFHYSBGTG-IAGOWNOFSA-N 1 0 274.408 2.896 10 10 CFCERO CC(C)[NH2+]Cc1ccc(N2CCSCC2)c(F)c1 ZINC000034824413 134782860 /nfs/dbraw/zinc/78/28/60/134782860.db2.gz HBKXDADQIYVPSD-UHFFFAOYSA-N 1 0 268.401 2.877 10 10 CFCERO CCOc1ccc2c(c1)[C@]1(C)CC[N+](C)(C)[C@H]1N2C ZINC000575129583 335070369 /nfs/dbraw/zinc/07/03/69/335070369.db2.gz UXTBLQVGSNRQDS-CVEARBPZSA-N 1 0 261.389 2.599 10 10 CFCERO C[C@@H]([NH2+][C@H](C)c1cc(O)ccc1O)c1cccnc1 ZINC000020127683 171012702 /nfs/dbraw/zinc/01/27/02/171012702.db2.gz GEBISASRXFQNQR-GHMZBOCLSA-N 1 0 258.321 2.905 10 10 CFCERO C[C@@H](C(=O)Nc1ccc(N)cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022213785 171375033 /nfs/dbraw/zinc/37/50/33/171375033.db2.gz YQLDPZVXKCRWIL-UPJWGTAASA-N 1 0 275.396 2.574 10 10 CFCERO CCC[NH2+][C@@H]1CCN(c2ccc(OC(F)F)cc2)C1 ZINC000037242360 173058569 /nfs/dbraw/zinc/05/85/69/173058569.db2.gz ASNPVOGJMBJRSP-LLVKDONJSA-N 1 0 270.323 2.866 10 10 CFCERO C[C@H](c1ccc2ccccc2c1O)N1CC[NH2+]CC1 ZINC000038086693 174097833 /nfs/dbraw/zinc/09/78/33/174097833.db2.gz SCNXNMKOKUEANE-GFCCVEGCSA-N 1 0 256.349 2.512 10 10 CFCERO CN(C)c1ccc([C@@H](CN)[NH+]2CCCCCC2)cc1 ZINC000038827607 174155929 /nfs/dbraw/zinc/15/59/29/174155929.db2.gz WJHUOZXOMLSMDF-MRXNPFEDSA-N 1 0 261.413 2.628 10 10 CFCERO OCC[n+]1c2ccccc2nc2c3ccccc3ccc21 ZINC000005669560 275048141 /nfs/dbraw/zinc/04/81/41/275048141.db2.gz CUHJWQOUYKTZTH-UHFFFAOYSA-N 1 0 275.331 2.821 10 10 CFCERO CCC[NH2+]C[C@H]1CCN(c2ccc(OC)cc2C)C1 ZINC000061568079 519936060 /nfs/dbraw/zinc/93/60/60/519936060.db2.gz QVZYDHFRVCESPW-CQSZACIVSA-N 1 0 262.397 2.830 10 10 CFCERO CCC[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2OC)C1 ZINC000053011735 519922539 /nfs/dbraw/zinc/92/25/39/519922539.db2.gz HTHJXDJPZBRDJM-ZDUSSCGKSA-N 1 0 278.396 2.530 10 10 CFCERO CCC[NH2+]C[C@H]1CCN(c2ccc(OC)c(OC)c2)C1 ZINC000053011214 519937345 /nfs/dbraw/zinc/93/73/45/519937345.db2.gz QUVFAACFATYGPK-CYBMUJFWSA-N 1 0 278.396 2.530 10 10 CFCERO CCOc1ccc(N2CC[C@H](C[NH2+]C(C)C)C2)cc1 ZINC000053010465 521043032 /nfs/dbraw/zinc/04/30/32/521043032.db2.gz SOLIFOWNXNUDCA-CQSZACIVSA-N 1 0 262.397 2.910 10 10 CFCERO CN1CCC([NH2+]Cc2c(O)ccc3ccccc32)CC1 ZINC000037267167 523777198 /nfs/dbraw/zinc/77/71/98/523777198.db2.gz KSTSMJSJXHJVKK-UHFFFAOYSA-N 1 0 270.376 2.729 10 10 CFCERO Cc1ccc(O)c(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070379942 525353159 /nfs/dbraw/zinc/35/31/59/525353159.db2.gz UXIRGQYJBBGLSK-CQSZACIVSA-N 1 0 255.317 2.924 10 10 CFCERO Nc1cccc(Cl)c1N[C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049564693 527518622 /nfs/dbraw/zinc/51/86/22/527518622.db2.gz YHFHKJHAXZJKKU-NWDGAFQWSA-N 1 0 251.761 2.571 10 10 CFCERO COc1cc(C[N@@H+]2CCS[C@@H](C)C2)c(O)cc1C ZINC000160146124 617603558 /nfs/dbraw/zinc/60/35/58/617603558.db2.gz YTTPGJBYQMAKEK-NSHDSACASA-N 1 0 267.394 2.647 10 10 CFCERO CCN1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000040502912 618196639 /nfs/dbraw/zinc/19/66/39/618196639.db2.gz MFNZIUVLTGSIBZ-OAHLLOKOSA-N 1 0 262.397 2.578 10 10 CFCERO COc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c(O)cc1C ZINC000245514610 650818993 /nfs/dbraw/zinc/81/89/93/650818993.db2.gz GFZGDYMETHBPBX-ZBFHGGJFSA-N 1 0 291.391 2.853 10 10 CFCERO Cc1cc(C)c(O)c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000246395919 650866454 /nfs/dbraw/zinc/86/64/54/650866454.db2.gz HRPMOEYQJWANNZ-ZBFHGGJFSA-N 1 0 274.408 2.678 10 10 CFCERO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000249614874 650964737 /nfs/dbraw/zinc/96/47/37/650964737.db2.gz SGLWSPXKALMHKR-OLZOCXBDSA-N 1 0 278.396 2.536 10 10 CFCERO C[N+](C)(C)Cc1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000038634518 717126116 /nfs/dbraw/zinc/12/61/16/717126116.db2.gz UFHWKXAWSLNQSB-UHFFFAOYSA-N 1 0 282.363 2.958 10 10 CFCERO COc1ccc(C[N@H+](C)Cc2ccc(N)cc2)cc1OC ZINC000034063556 346313626 /nfs/dbraw/zinc/31/36/26/346313626.db2.gz IUNHXXJSYUGADW-UHFFFAOYSA-N 1 0 286.375 2.918 10 10 CFCERO C[N@@H+]1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1 ZINC000013739901 372045860 /nfs/dbraw/zinc/04/58/60/372045860.db2.gz MLHHCALLRFUZLA-INIZCTEOSA-N 1 0 255.317 2.675 10 10 CFCERO Cc1ccc(O)c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000092810954 375158368 /nfs/dbraw/zinc/15/83/68/375158368.db2.gz NFLRJWNNOMWUFZ-UHFFFAOYSA-N 1 0 271.364 2.803 10 10 CFCERO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC000131301342 377691452 /nfs/dbraw/zinc/69/14/52/377691452.db2.gz YBMSMVFNYZNVTK-LBPRGKRZSA-N 1 0 250.411 2.690 10 10 CFCERO CCN(CCOC)c1ccc(C[NH2+]C(C)C)cc1 ZINC000042493992 184556392 /nfs/dbraw/zinc/55/63/92/184556392.db2.gz YIXXSWSTUGQPFI-UHFFFAOYSA-N 1 0 250.386 2.657 10 10 CFCERO Cc1cc(O)c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1C ZINC000246931265 383122728 /nfs/dbraw/zinc/12/27/28/383122728.db2.gz DNPWAFBHHLSETL-ZBFHGGJFSA-N 1 0 274.408 2.678 10 10 CFCERO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1N(C)C ZINC000251671068 383393145 /nfs/dbraw/zinc/39/31/45/383393145.db2.gz HJPJXSRDNBLFNK-CXAGYDPISA-N 1 0 284.403 2.927 10 10 CFCERO COCC[NH2+][C@@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020550911 256810438 /nfs/dbraw/zinc/81/04/38/256810438.db2.gz ROWFWWFZUVWCCX-LBPRGKRZSA-N 1 0 266.360 2.723 10 10 CFCERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000120553639 393935952 /nfs/dbraw/zinc/93/59/52/393935952.db2.gz IOZHDULGZAWDTQ-TYNCELHUSA-N 1 0 278.371 2.721 10 10 CFCERO CC[C@@H]1CN(c2ccc(C[NH2+]C(C)C)cc2)CCO1 ZINC000036770467 134823227 /nfs/dbraw/zinc/82/32/27/134823227.db2.gz CDEQJFFQXNRHHI-MRXNPFEDSA-N 1 0 262.397 2.800 10 10 CFCERO CC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccccc1O ZINC000156710246 394337784 /nfs/dbraw/zinc/33/77/84/394337784.db2.gz DTNKXSRBKHMTHG-KBPBESRZSA-N 1 0 286.379 2.868 10 10 CFCERO CC[C@@H]1CN(c2ccc(OC)c(F)c2)[C@H](CC)C[NH2+]1 ZINC000083493182 135024293 /nfs/dbraw/zinc/02/42/93/135024293.db2.gz DBGDWSVQVVTMIJ-VXGBXAGGSA-N 1 0 266.360 2.801 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(O)cc1O ZINC000020121265 171000601 /nfs/dbraw/zinc/00/06/01/171000601.db2.gz LPIFARRHWKWHEE-WDEREUQCSA-N 1 0 258.321 2.905 10 10 CFCERO C[C@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1ccccn1 ZINC000020123470 171004621 /nfs/dbraw/zinc/00/46/21/171004621.db2.gz OZOYNXNWSWMWSY-QWRGUYRKSA-N 1 0 258.321 2.905 10 10 CFCERO Oc1ccc([C@H]([NH2+]C2CC2)c2ccccc2)c(O)c1O ZINC000022145841 171356399 /nfs/dbraw/zinc/35/63/99/171356399.db2.gz KMQNWEUSCLGFOM-CQSZACIVSA-N 1 0 271.316 2.645 10 10 CFCERO C[C@H]1CCC[N@H+](CCCC(=O)Nc2ccc(N)cc2)C1 ZINC000022154912 171361815 /nfs/dbraw/zinc/36/18/15/171361815.db2.gz QDBQNBWMAGDMKD-ZDUSSCGKSA-N 1 0 275.396 2.719 10 10 CFCERO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000022156175 171362364 /nfs/dbraw/zinc/36/23/64/171362364.db2.gz SWEGPAKSEHLQSU-LBPRGKRZSA-N 1 0 263.385 2.718 10 10 CFCERO Oc1ccc(C[NH2+]CCc2cccc(F)c2)cc1O ZINC000035137846 172005844 /nfs/dbraw/zinc/00/58/44/172005844.db2.gz VXBKPASKIOZHFD-UHFFFAOYSA-N 1 0 261.296 2.569 10 10 CFCERO CC[C@@H](C)N(C)c1ccc(C[NH2+]CCOC)cc1 ZINC000062735403 522065612 /nfs/dbraw/zinc/06/56/12/522065612.db2.gz TTYOHCQWDFNJQP-CYBMUJFWSA-N 1 0 250.386 2.657 10 10 CFCERO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1O ZINC000228671059 522539999 /nfs/dbraw/zinc/53/99/99/522539999.db2.gz DJJGRQJBUPDBNI-SKDRFNHKSA-N 1 0 285.771 2.711 10 10 CFCERO CC[C@H](C)N(C)c1ccc(C[NH2+]CCOC)c(C)c1 ZINC000062735384 523924638 /nfs/dbraw/zinc/92/46/38/523924638.db2.gz HUFXYPIGCIRBRY-AWEZNQCLSA-N 1 0 264.413 2.966 10 10 CFCERO COCC[NH2+]Cc1ccc(N2CC[C@@H](C)C2)cc1C ZINC000062736656 523951881 /nfs/dbraw/zinc/95/18/81/523951881.db2.gz XZMRDIXOKLWKCB-CYBMUJFWSA-N 1 0 262.397 2.577 10 10 CFCERO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3CCCC[C@H]31)OCO2 ZINC000229104787 526337220 /nfs/dbraw/zinc/33/72/20/526337220.db2.gz FMEWYYZXGVVBMC-DGCLKSJQSA-N 1 0 275.348 2.885 10 10 CFCERO Nc1cccc(Cl)c1N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049564692 527518744 /nfs/dbraw/zinc/51/87/44/527518744.db2.gz YHFHKJHAXZJKKU-VXGBXAGGSA-N 1 0 251.761 2.571 10 10 CFCERO CCOc1ccc(N2CC[NH2+][C@@H](CC)C2)cc1OCC ZINC000083586403 535734539 /nfs/dbraw/zinc/73/45/39/535734539.db2.gz PLPMLDVGTKAJPZ-ZDUSSCGKSA-N 1 0 278.396 2.672 10 10 CFCERO CCOc1ccc(N2CC[NH2+]C[C@H]2CC)cc1OCC ZINC000083586680 535735517 /nfs/dbraw/zinc/73/55/17/535735517.db2.gz DZCPBCGIMZPGPR-CYBMUJFWSA-N 1 0 278.396 2.672 10 10 CFCERO CCC[C@H]([NH3+])c1cc(Br)cc(OC)c1O ZINC000095767751 619167220 /nfs/dbraw/zinc/16/72/20/619167220.db2.gz VIRJTSFTAIIGLQ-VIFPVBQESA-N 1 0 274.158 2.963 10 10 CFCERO Cc1cccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)c1O ZINC000188420441 650328560 /nfs/dbraw/zinc/32/85/60/650328560.db2.gz CXLBYRUHENSWFX-OAHLLOKOSA-N 1 0 271.364 2.562 10 10 CFCERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(N(C)C)cc1 ZINC000248419221 650933291 /nfs/dbraw/zinc/93/32/91/650933291.db2.gz UTTXXSHIWGVCEC-AEFFLSMTSA-N 1 0 287.451 2.811 10 10 CFCERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000249293985 650958100 /nfs/dbraw/zinc/95/81/00/650958100.db2.gz BQYOFNLSIKPMEQ-HEHGZKQESA-N 1 0 262.397 2.971 10 10 CFCERO C[N@H+](CCOc1ccc(N)cc1)Cc1ccc(F)cc1 ZINC000036797668 346325145 /nfs/dbraw/zinc/32/51/45/346325145.db2.gz FZBWDVJECDBVMC-UHFFFAOYSA-N 1 0 274.339 2.919 10 10 CFCERO COC[C@H](C)N(C)c1ccc([C@H](C)[NH3+])cc1Cl ZINC000103955411 185867459 /nfs/dbraw/zinc/86/74/59/185867459.db2.gz XJBLZCVKKWYTOB-UWVGGRQHSA-N 1 0 256.777 2.831 10 10 CFCERO C[C@H]([NH3+])c1ccc(N(C)C[C@H]2CCCO2)c(Cl)c1 ZINC000103954360 185867554 /nfs/dbraw/zinc/86/75/54/185867554.db2.gz JMUBFOGRFDXTLM-CMPLNLGQSA-N 1 0 268.788 2.975 10 10 CFCERO CC(C)Oc1ccc(N(C)CCC[NH3+])cc1Cl ZINC000107296422 186167730 /nfs/dbraw/zinc/16/77/30/186167730.db2.gz GSWUMGUFFRMHFZ-UHFFFAOYSA-N 1 0 256.777 2.912 10 10 CFCERO Cc1ccc2c(c1)N(C)/C(=C/c1cccc[n+]1CCO)S2 ZINC000002487726 371727370 /nfs/dbraw/zinc/72/73/70/371727370.db2.gz BNPYRDHAJSGYNA-UHFFFAOYSA-N 1 0 299.419 2.815 10 10 CFCERO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000179942926 380602212 /nfs/dbraw/zinc/60/22/12/380602212.db2.gz NPINTIQFINFXQE-DZGCQCFKSA-N 1 0 265.328 2.675 10 10 CFCERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000180130922 380622285 /nfs/dbraw/zinc/62/22/85/380622285.db2.gz MADKAYRSOQJSKO-MRXNPFEDSA-N 1 0 285.391 2.870 10 10 CFCERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186096908 381822812 /nfs/dbraw/zinc/82/28/12/381822812.db2.gz HHNJNNWKOSJEMI-BXUZGUMPSA-N 1 0 286.379 2.786 10 10 CFCERO C[N@H+]1Cc2ccccc2N[C@H](c2ccc(O)c(O)c2)C1 ZINC000199561016 382771949 /nfs/dbraw/zinc/77/19/49/382771949.db2.gz MCVVDPDRJKBMRV-AWEZNQCLSA-N 1 0 270.332 2.696 10 10 CFCERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(C)c1O ZINC000248406598 383238178 /nfs/dbraw/zinc/23/81/78/383238178.db2.gz BYZDKRLFMLHAAQ-CVEARBPZSA-N 1 0 274.408 2.759 10 10 CFCERO CC[C@@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccccc1O ZINC000156710116 394338035 /nfs/dbraw/zinc/33/80/35/394338035.db2.gz DTNKXSRBKHMTHG-ZIAGYGMSSA-N 1 0 286.379 2.868 10 10 CFCERO CC[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC000083540456 135027558 /nfs/dbraw/zinc/02/75/58/135027558.db2.gz XBEONXDYNSDLMN-SNVBAGLBSA-N 1 0 274.286 2.773 10 10 CFCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CN2CCC1CC2 ZINC000019947781 170937415 /nfs/dbraw/zinc/93/74/15/170937415.db2.gz UISCYPDKGCBCNN-BPLDGKMQSA-N 1 0 286.419 2.933 10 10 CFCERO COc1ccc(O)c(C[NH2+][C@H](C)c2ccncc2)c1 ZINC000020121840 171001190 /nfs/dbraw/zinc/00/11/90/171001190.db2.gz QRKYCFXGHFEFRQ-LLVKDONJSA-N 1 0 258.321 2.647 10 10 CFCERO C[C@@H]([NH2+][C@H](C)c1ccc(O)cc1O)c1cccnc1 ZINC000020127619 171013060 /nfs/dbraw/zinc/01/30/60/171013060.db2.gz YCSPHRVHNLKWGI-GHMZBOCLSA-N 1 0 258.321 2.905 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc(O)ccc1O ZINC000020127684 171013300 /nfs/dbraw/zinc/01/33/00/171013300.db2.gz GEBISASRXFQNQR-WDEREUQCSA-N 1 0 258.321 2.905 10 10 CFCERO CC(C)COCCC[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000020147249 171033911 /nfs/dbraw/zinc/03/39/11/171033911.db2.gz XVFFOBODAMOLNJ-LBPRGKRZSA-N 1 0 267.369 2.811 10 10 CFCERO C[C@@H]1CCCC[N@@H+]1CCCC(=O)Nc1ccc(N)cc1 ZINC000022154627 171361238 /nfs/dbraw/zinc/36/12/38/171361238.db2.gz XJTOIOZNAQNVHG-CYBMUJFWSA-N 1 0 275.396 2.862 10 10 CFCERO CN(C)c1ccc([C@H](C[NH3+])Nc2ccccc2)cc1 ZINC000026442664 171484463 /nfs/dbraw/zinc/48/44/63/171484463.db2.gz RRAICRVFBZHDHQ-INIZCTEOSA-N 1 0 255.365 2.865 10 10 CFCERO [NH3+]Cc1ccc(N(Cc2cccnc2)C2CC2)cc1 ZINC000034655454 171849364 /nfs/dbraw/zinc/84/93/64/171849364.db2.gz QUPDERJDHBTTQE-UHFFFAOYSA-N 1 0 253.349 2.709 10 10 CFCERO CCCN(CC[NH+](CC)CC)Cc1ccc(N)cc1 ZINC000035364806 172154671 /nfs/dbraw/zinc/15/46/71/172154671.db2.gz IKEPVNLAANQLJC-UHFFFAOYSA-N 1 0 263.429 2.823 10 10 CFCERO Nc1ccc(C[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000035365985 172157238 /nfs/dbraw/zinc/15/72/38/172157238.db2.gz APSHMNZIOJZBAR-UHFFFAOYSA-N 1 0 253.349 2.828 10 10 CFCERO COc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)c(O)c1 ZINC000038028712 174017051 /nfs/dbraw/zinc/01/70/51/174017051.db2.gz RAHJZNHRAOIVME-KBPBESRZSA-N 1 0 292.423 2.926 10 10 CFCERO C[C@@H]1C[C@H](C)C[N@H+]([C@H](CN)c2ccc(N(C)C)cc2)C1 ZINC000039789104 174173310 /nfs/dbraw/zinc/17/33/10/174173310.db2.gz SQVKGXOMBXNWKR-JKIFEVAISA-N 1 0 275.440 2.730 10 10 CFCERO CCN(CCO)c1ccc(/C=C\c2cc[n+](C)cc2)cc1 ZINC000033751499 276133219 /nfs/dbraw/zinc/13/32/19/276133219.db2.gz QQKFFVWSQCCMKN-UHFFFAOYSA-N 1 0 283.395 2.500 10 10 CFCERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000251791510 290044729 /nfs/dbraw/zinc/04/47/29/290044729.db2.gz VZAHTPARMWDQPZ-VBNZEHGJSA-N 1 0 262.397 2.707 10 10 CFCERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cc(F)ccc1O ZINC000226606762 519341792 /nfs/dbraw/zinc/34/17/92/519341792.db2.gz DQNNUXSDGPPSEM-CQSZACIVSA-N 1 0 268.376 2.597 10 10 CFCERO C[NH2+][C@@H]1CCN(c2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000049712136 522396411 /nfs/dbraw/zinc/39/64/11/522396411.db2.gz QKNDUVDFHAUEEC-GHMZBOCLSA-N 1 0 268.788 2.925 10 10 CFCERO CCC[NH2+]CCNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000236836254 519916262 /nfs/dbraw/zinc/91/62/62/519916262.db2.gz BMKUXIPSTOZXHR-UHFFFAOYSA-N 1 0 299.418 2.824 10 10 CFCERO CCC[NH2+]C[C@H](CC)N(C)c1ccc(OC)cc1 ZINC000052541764 519931324 /nfs/dbraw/zinc/93/13/24/519931324.db2.gz WZQAZHRDOFOMPL-ZDUSSCGKSA-N 1 0 250.386 2.910 10 10 CFCERO CC[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000050581076 519998447 /nfs/dbraw/zinc/99/84/47/519998447.db2.gz OMHKQVFXAYSFQS-OKILXGFUSA-N 1 0 262.397 2.718 10 10 CFCERO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COC(C)(C)C ZINC000076074445 521690235 /nfs/dbraw/zinc/69/02/35/521690235.db2.gz ZADNXARCZSYAMR-HNNXBMFYSA-N 1 0 295.423 2.780 10 10 CFCERO COc1ccc(N2CC[C@@H](C[NH2+]CC(C)C)C2)cc1OC ZINC000053011205 524440556 /nfs/dbraw/zinc/44/05/56/524440556.db2.gz OYHKBGGLSQTRJL-AWEZNQCLSA-N 1 0 292.423 2.776 10 10 CFCERO C[C@H](Cc1ccsc1)[NH2+]Cc1cccc(O)c1O ZINC000049157392 524761597 /nfs/dbraw/zinc/76/15/97/524761597.db2.gz KWFCHXWHSSPALR-SNVBAGLBSA-N 1 0 263.362 2.880 10 10 CFCERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccc(OC(F)F)cc1 ZINC000049710368 524787083 /nfs/dbraw/zinc/78/70/83/524787083.db2.gz VLMLHYIZXCEVAA-UWVGGRQHSA-N 1 0 256.296 2.604 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N2CCO[C@H](C)C2)c(Br)c1 ZINC000061694071 525028737 /nfs/dbraw/zinc/02/87/37/525028737.db2.gz GLSCFLAZRHRXHM-NXEZZACHSA-N 1 0 299.212 2.694 10 10 CFCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000273609595 525365416 /nfs/dbraw/zinc/36/54/16/525365416.db2.gz VHSWNXUTZUURAY-SMDDNHRTSA-N 1 0 251.370 2.758 10 10 CFCERO Oc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)c(O)c1 ZINC000049577329 526344544 /nfs/dbraw/zinc/34/45/44/526344544.db2.gz BWHCPARYACVWNH-UHFFFAOYSA-N 1 0 265.259 2.666 10 10 CFCERO Oc1ccc(C[NH2+]Cc2ccc(F)cc2F)c(O)c1 ZINC000051016638 526345424 /nfs/dbraw/zinc/34/54/24/526345424.db2.gz COHJJOLRKBJCKK-UHFFFAOYSA-N 1 0 265.259 2.666 10 10 CFCERO [NH3+]Cc1ccc(N(CCO)C2CCCC2)c(Cl)c1 ZINC000062793080 527254861 /nfs/dbraw/zinc/25/48/61/527254861.db2.gz SBZMRDPRFCPJJS-UHFFFAOYSA-N 1 0 268.788 2.540 10 10 CFCERO CC[C@H]1CN(c2ccc(OC)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000083457395 536160756 /nfs/dbraw/zinc/16/07/56/536160756.db2.gz XOZDKLGBNWBKOV-BBRMVZONSA-N 1 0 262.397 2.908 10 10 CFCERO Cc1cccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c1O ZINC000188420464 618171549 /nfs/dbraw/zinc/17/15/49/618171549.db2.gz CXLBYRUHENSWFX-HNNXBMFYSA-N 1 0 271.364 2.562 10 10 CFCERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000040502648 618196567 /nfs/dbraw/zinc/19/65/67/618196567.db2.gz KIRRORABAOTSPS-UONOGXRCSA-N 1 0 262.397 2.836 10 10 CFCERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000040502809 618196675 /nfs/dbraw/zinc/19/66/75/618196675.db2.gz CLMGXFXOPWARKM-HOCLYGCPSA-N 1 0 275.440 2.888 10 10 CFCERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000040502269 649985045 /nfs/dbraw/zinc/98/50/45/649985045.db2.gz SGLWSPXKALMHKR-STQMWFEESA-N 1 0 278.396 2.536 10 10 CFCERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000186096957 282101135 /nfs/dbraw/zinc/10/11/35/282101135.db2.gz HHNJNNWKOSJEMI-FZMZJTMJSA-N 1 0 286.379 2.786 10 10 CFCERO Oc1ccc(Br)cc1[C@@H]1CCCC[NH2+]1 ZINC000096884351 185120106 /nfs/dbraw/zinc/12/01/06/185120106.db2.gz KZPUZXACQMCMAR-JTQLQIEISA-N 1 0 256.143 2.969 10 10 CFCERO C[NH+](CCc1ccc(N)cc1)CCc1ccc(N)cc1 ZINC000034334390 346315748 /nfs/dbraw/zinc/31/57/48/346315748.db2.gz MLSDRJAYBKIOPY-UHFFFAOYSA-N 1 0 269.392 2.568 10 10 CFCERO C[NH2+]Cc1ccc(N(C)Cc2scnc2C)c(F)c1 ZINC000104431944 186000651 /nfs/dbraw/zinc/00/06/51/186000651.db2.gz DXEFBXNFEFMOLG-UHFFFAOYSA-N 1 0 279.384 2.946 10 10 CFCERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc(C)c1O ZINC000124597135 377068111 /nfs/dbraw/zinc/06/81/11/377068111.db2.gz QPBQTROHEVJTIQ-OAHLLOKOSA-N 1 0 262.397 2.617 10 10 CFCERO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000131939899 377781996 /nfs/dbraw/zinc/78/19/96/377781996.db2.gz OUBALTNSWQDZQI-HNNXBMFYSA-N 1 0 271.364 2.771 10 10 CFCERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180239627 380638297 /nfs/dbraw/zinc/63/82/97/380638297.db2.gz HLXNYAQOYATUMJ-OAHLLOKOSA-N 1 0 289.354 2.701 10 10 CFCERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)c1 ZINC000180121022 380622167 /nfs/dbraw/zinc/62/21/67/380622167.db2.gz AYGZERPJDVHEGD-OAHLLOKOSA-N 1 0 289.354 2.873 10 10 CFCERO C[C@@H](C[NH2+]Cc1ccccc1O)N(C)C(=O)OC(C)(C)C ZINC000282821694 385394592 /nfs/dbraw/zinc/39/45/92/385394592.db2.gz NIHZDPNKFUUNSS-LBPRGKRZSA-N 1 0 294.395 2.737 10 10 CFCERO C[C@H]([NH3+])c1ccc(N2CCO[C@H]3CCC[C@@H]32)c(F)c1 ZINC000043425773 134902296 /nfs/dbraw/zinc/90/22/96/134902296.db2.gz FOVLHTSDZLEBHL-LKTVYLICSA-N 1 0 264.344 2.603 10 10 CFCERO CCOc1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C(C)C)cc1 ZINC000083457360 135023332 /nfs/dbraw/zinc/02/33/32/135023332.db2.gz XVLCFDSTKPVUGY-XJKSGUPXSA-N 1 0 262.397 2.908 10 10 CFCERO CC[C@H]1C[NH2+]CCN1c1ccc(OC(F)(F)F)cc1 ZINC000083540495 135028105 /nfs/dbraw/zinc/02/81/05/135028105.db2.gz HOZZUFKZINAYED-JTQLQIEISA-N 1 0 274.286 2.773 10 10 CFCERO CC(C)[NH+](CCN[C@@H](C)c1cc(O)ccc1O)C(C)C ZINC000019901082 170913255 /nfs/dbraw/zinc/91/32/55/170913255.db2.gz ZCZYMHASJXRHFR-ZDUSSCGKSA-N 1 0 280.412 2.867 10 10 CFCERO C[C@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1cccnc1 ZINC000020127618 171012639 /nfs/dbraw/zinc/01/26/39/171012639.db2.gz YCSPHRVHNLKWGI-QWRGUYRKSA-N 1 0 258.321 2.905 10 10 CFCERO C[C@@H](C[NH2+]Cc1ccc(O)cc1O)c1ccccc1 ZINC000020137075 171024551 /nfs/dbraw/zinc/02/45/51/171024551.db2.gz LLBKOWZBKMAVBZ-LBPRGKRZSA-N 1 0 257.333 2.991 10 10 CFCERO CC(C)COCCC[NH2+][C@H](C)c1ccc(O)cc1O ZINC000020147250 171033860 /nfs/dbraw/zinc/03/38/60/171033860.db2.gz XVFFOBODAMOLNJ-GFCCVEGCSA-N 1 0 267.369 2.811 10 10 CFCERO Oc1ccc([C@@H]([NH2+]C2CC2)c2ccccc2)c(O)c1O ZINC000022145837 171356437 /nfs/dbraw/zinc/35/64/37/171356437.db2.gz KMQNWEUSCLGFOM-AWEZNQCLSA-N 1 0 271.316 2.645 10 10 CFCERO C[C@@H](C(=O)Nc1ccc(N)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022213788 171375143 /nfs/dbraw/zinc/37/51/43/171375143.db2.gz YQLDPZVXKCRWIL-XQQFMLRXSA-N 1 0 275.396 2.574 10 10 CFCERO C[NH2+][C@H](C)c1ccc(N(C)Cc2ccccn2)cc1 ZINC000036777655 172694651 /nfs/dbraw/zinc/69/46/51/172694651.db2.gz ISQGOUUHYAOMLX-CYBMUJFWSA-N 1 0 255.365 2.998 10 10 CFCERO CCC[NH2+][C@H]1CCN(c2ccc(OC(F)F)cc2)C1 ZINC000037242362 173058622 /nfs/dbraw/zinc/05/86/22/173058622.db2.gz ASNPVOGJMBJRSP-NSHDSACASA-N 1 0 270.323 2.866 10 10 CFCERO C[C@H](C[NH2+][C@@H](C)c1cc(O)ccc1O)N1CCCCC1 ZINC000038028427 174016993 /nfs/dbraw/zinc/01/69/93/174016993.db2.gz WKXOJOVXMBIBJZ-OLZOCXBDSA-N 1 0 278.396 2.623 10 10 CFCERO CCN(CC)c1ccc([C@H](C[NH3+])N2CCCC2)cc1 ZINC000039789119 174173287 /nfs/dbraw/zinc/17/32/87/174173287.db2.gz JJTWEXUWESYUCE-INIZCTEOSA-N 1 0 261.413 2.628 10 10 CFCERO CC[C@H](C)N(CCOC)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042584706 174807398 /nfs/dbraw/zinc/80/73/98/174807398.db2.gz ARRPUDKZCXNVBA-QWHCGFSZSA-N 1 0 250.386 2.958 10 10 CFCERO CC[NH2+]Cc1cc(F)c(N(C)CCCOC)c(F)c1 ZINC000062719362 519992357 /nfs/dbraw/zinc/99/23/57/519992357.db2.gz WDFMELLYSQXAHA-UHFFFAOYSA-N 1 0 272.339 2.547 10 10 CFCERO CC[NH2+][C@@H](C)c1ccc(N(CC)CCO)c(Cl)c1 ZINC000061695960 520076483 /nfs/dbraw/zinc/07/64/83/520076483.db2.gz IPTGIXOWDYSWOG-NSHDSACASA-N 1 0 270.804 2.829 10 10 CFCERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(OC)c(Cl)c1 ZINC000083511899 535825248 /nfs/dbraw/zinc/82/52/48/535825248.db2.gz PPLDJAGGNQQULU-WDEREUQCSA-N 1 0 268.788 2.925 10 10 CFCERO CC(C)N(CCCO)c1ccc([C@H](C)[NH3+])cc1Cl ZINC000061697512 519645118 /nfs/dbraw/zinc/64/51/18/519645118.db2.gz IYIUZNNUVYTQKA-NSHDSACASA-N 1 0 270.804 2.957 10 10 CFCERO CCC[NH2+]C[C@@H](CC)N(C)c1ccc(OC)cc1 ZINC000052541762 519921459 /nfs/dbraw/zinc/92/14/59/519921459.db2.gz WZQAZHRDOFOMPL-CYBMUJFWSA-N 1 0 250.386 2.910 10 10 CFCERO CC[N@@H+]1CCC[C@@H](Nc2c(N)cccc2Cl)C1 ZINC000049193381 521625810 /nfs/dbraw/zinc/62/58/10/521625810.db2.gz NEQTVVOYFFFCAY-SNVBAGLBSA-N 1 0 253.777 2.818 10 10 CFCERO C[NH2+]Cc1ccc(N2C[C@H](C)OC(C)(C)C2)c(C)c1 ZINC000050562309 522120919 /nfs/dbraw/zinc/12/09/19/522120919.db2.gz UNTDAVFPWUBPNR-ZDUSSCGKSA-N 1 0 262.397 2.718 10 10 CFCERO COc1ccc(O)c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000245861574 524745902 /nfs/dbraw/zinc/74/59/02/524745902.db2.gz OYXAZPFMKXYLSE-WMLDXEAASA-N 1 0 291.391 2.528 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N2CCCC[C@@H]2CO)c(Cl)c1 ZINC000061696168 525026386 /nfs/dbraw/zinc/02/63/86/525026386.db2.gz SYKJNQCMODKANO-ZYHUDNBSSA-N 1 0 268.788 2.711 10 10 CFCERO C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(F)c1[O-] ZINC000164928482 526249106 /nfs/dbraw/zinc/24/91/06/526249106.db2.gz AKKMRBSTWBPZRH-ZDUSSCGKSA-N 1 0 280.387 2.885 10 10 CFCERO Oc1ccc(F)cc1C[NH2+][C@H]1COc2ccccc21 ZINC000226607624 526351644 /nfs/dbraw/zinc/35/16/44/526351644.db2.gz BMFKHQABBWITMS-ZDUSSCGKSA-N 1 0 259.280 2.755 10 10 CFCERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(OC)c(Cl)c1 ZINC000083511897 536169658 /nfs/dbraw/zinc/16/96/58/536169658.db2.gz PPLDJAGGNQQULU-MNOVXSKESA-N 1 0 268.788 2.925 10 10 CFCERO COc1ccc(N2CC[NH2+]C[C@H]2C(C)C)cc1Cl ZINC000083511944 536705149 /nfs/dbraw/zinc/70/51/49/536705149.db2.gz AITIZUWYHAZPAW-ZDUSSCGKSA-N 1 0 268.788 2.783 10 10 CFCERO Oc1cc2c(cc1CN1CC[N@@H+]3CCC[C@@H]3C1)CCCC2 ZINC000179444273 618276188 /nfs/dbraw/zinc/27/61/88/618276188.db2.gz HUUBJLPVIGPPBL-QGZVFWFLSA-N 1 0 286.419 2.551 10 10 CFCERO C[C@H]1C[NH+](Cc2cc3c(cc2O)CCCC3)C[C@H](C)O1 ZINC000159456752 650261997 /nfs/dbraw/zinc/26/19/97/650261997.db2.gz ZRIMGAQEZFWWOZ-STQMWFEESA-N 1 0 275.392 2.880 10 10 CFCERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000249613406 650964754 /nfs/dbraw/zinc/96/47/54/650964754.db2.gz KIRRORABAOTSPS-ZIAGYGMSSA-N 1 0 262.397 2.836 10 10 CFCERO C[C@H]([NH2+]CC1(O)CCSCC1)c1ccc(N(C)C)cc1 ZINC000305146166 651052120 /nfs/dbraw/zinc/05/21/20/651052120.db2.gz RVYLKBQVCLXKGX-ZDUSSCGKSA-N 1 0 294.464 2.661 10 10 CFCERO CN(C)c1ccc([C@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)cc1 ZINC000005797895 282294780 /nfs/dbraw/zinc/29/47/80/282294780.db2.gz CJWFTHZGKMRDJR-ZACQAIPSSA-N 1 0 274.408 2.708 10 10 CFCERO Cc1cc(N2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000063063266 346695167 /nfs/dbraw/zinc/69/51/67/346695167.db2.gz OKWGMXISYAIOMR-UHFFFAOYSA-N 1 0 282.387 2.984 10 10 CFCERO CN(c1ccc(C[NH3+])cc1Br)C1CC1 ZINC000169171987 348049854 /nfs/dbraw/zinc/04/98/54/348049854.db2.gz ZMSWDXREJJFFLD-UHFFFAOYSA-N 1 0 255.159 2.506 10 10 CFCERO Cc1cc(O)c([C@H]([NH3+])CF)c(C)c1Br ZINC000238475506 348246656 /nfs/dbraw/zinc/24/66/56/348246656.db2.gz ZRMQEQKXEDHCAQ-SSDOTTSWSA-N 1 0 262.122 2.741 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N(C)C[C@@H]2CCCOC2)c(F)c1 ZINC000104197290 185926421 /nfs/dbraw/zinc/92/64/21/185926421.db2.gz DBZJFLSOXFPZGW-NEPJUHHUSA-N 1 0 266.360 2.708 10 10 CFCERO CC[C@@H]([NH3+])Cc1c(C)nn(C)c1Sc1nccs1 ZINC000104433359 186000343 /nfs/dbraw/zinc/00/03/43/186000343.db2.gz CPQQNOPCFRHFET-SECBINFHSA-N 1 0 282.438 2.616 10 10 CFCERO CCN(CC)c1ccc(C[NH2+]CCc2c[nH]cn2)cc1 ZINC000057366893 373590064 /nfs/dbraw/zinc/59/00/64/373590064.db2.gz VFIMDJPBXZBXBF-UHFFFAOYSA-N 1 0 272.396 2.588 10 10 CFCERO CN(C)c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000091978578 375074142 /nfs/dbraw/zinc/07/41/42/375074142.db2.gz DVRGRFFHYSBGTG-IRXDYDNUSA-N 1 0 274.408 2.896 10 10 CFCERO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000091979281 375074542 /nfs/dbraw/zinc/07/45/42/375074542.db2.gz XSENZSXVVIVIMV-DOTOQJQBSA-N 1 0 291.391 2.934 10 10 CFCERO Oc1ccc(F)cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000180184951 380629916 /nfs/dbraw/zinc/62/99/16/380629916.db2.gz FSPCDAKWMVGWDJ-CJNGLKHVSA-N 1 0 279.355 2.658 10 10 CFCERO C[N@H+](Cc1cccc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289224538 381028708 /nfs/dbraw/zinc/02/87/08/381028708.db2.gz CQVJRSQQWBKGJW-PBWFPOADSA-N 1 0 278.371 2.588 10 10 CFCERO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccc1O ZINC000183606476 381293638 /nfs/dbraw/zinc/29/36/38/381293638.db2.gz VZSNHXTXAJVFBY-KGLIPLIRSA-N 1 0 298.390 2.502 10 10 CFCERO Cc1cccc(C[N@H+]2C[C@@H]3CCCCN3C[C@H]2C)c1O ZINC000252730846 383430169 /nfs/dbraw/zinc/43/01/69/383430169.db2.gz NCFFDXXULYWNOM-ZBFHGGJFSA-N 1 0 274.408 2.759 10 10 CFCERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc(OC(F)F)cc1 ZINC000083517153 135026145 /nfs/dbraw/zinc/02/61/45/135026145.db2.gz DHXYROPTTVVPPC-GHMZBOCLSA-N 1 0 270.323 2.865 10 10 CFCERO COc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)c(OC)c1 ZINC000083586642 135030094 /nfs/dbraw/zinc/03/00/94/135030094.db2.gz USWXWQZAYYEUHV-GXTWGEPZSA-N 1 0 278.396 2.527 10 10 CFCERO Oc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1O ZINC000020122477 171002501 /nfs/dbraw/zinc/00/25/01/171002501.db2.gz HGRMFPMNEVROCI-UHFFFAOYSA-N 1 0 282.343 2.911 10 10 CFCERO C[C@H](CCc1ccco1)[NH2+]Cc1ccc(O)c(O)c1 ZINC000020144628 171030290 /nfs/dbraw/zinc/03/02/90/171030290.db2.gz WWDFNAIIOHELFW-LLVKDONJSA-N 1 0 261.321 2.802 10 10 CFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000020207104 171071491 /nfs/dbraw/zinc/07/14/91/171071491.db2.gz JSWAZCLCWIIPLE-HFAKWTLXSA-N 1 0 265.353 2.619 10 10 CFCERO CC[NH+](CC)CCN(Cc1ccc(N)cc1)C(C)C ZINC000035365388 172155401 /nfs/dbraw/zinc/15/54/01/172155401.db2.gz GVWNFMRYGRRKJH-UHFFFAOYSA-N 1 0 263.429 2.821 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2cccnc2)c(F)c1 ZINC000036771373 172690318 /nfs/dbraw/zinc/69/03/18/172690318.db2.gz YYCGUJJYYLSVQO-LLVKDONJSA-N 1 0 259.328 2.877 10 10 CFCERO CC[C@@H](C)N(CCOC)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042584703 174807534 /nfs/dbraw/zinc/80/75/34/174807534.db2.gz ARRPUDKZCXNVBA-CHWSQXEVSA-N 1 0 250.386 2.958 10 10 CFCERO c1cc(N2CCC[NH2+]CC2)ccc1OC1CCCC1 ZINC000043461581 175052089 /nfs/dbraw/zinc/05/20/89/175052089.db2.gz QUEOBLAQTPOFQJ-UHFFFAOYSA-N 1 0 260.381 2.808 10 10 CFCERO CCC[C@@H](C)[NH2+]CCN(C)c1ccc(OC)cc1 ZINC000053434063 520666451 /nfs/dbraw/zinc/66/64/51/520666451.db2.gz RHSFXAMWXCYXKY-CYBMUJFWSA-N 1 0 250.386 2.910 10 10 CFCERO CC[NH2+]C[C@@H]1CCN(c2ccc(OCC)c(OCC)c2)C1 ZINC000053010871 519950523 /nfs/dbraw/zinc/95/05/23/519950523.db2.gz CAAMLIRFQAWIKT-AWEZNQCLSA-N 1 0 292.423 2.920 10 10 CFCERO CC[NH2+]Cc1ccc(N(CC)[C@@H](C)COC)c(C)c1 ZINC000050562196 519997872 /nfs/dbraw/zinc/99/78/72/519997872.db2.gz IQSCQBQWVWUDCW-AWEZNQCLSA-N 1 0 264.413 2.966 10 10 CFCERO CCN(CCO)c1ccc(C[NH2+]C(C)(C)C)cc1C ZINC000050560716 521124518 /nfs/dbraw/zinc/12/45/18/521124518.db2.gz QZHZUXCKIBZNCL-UHFFFAOYSA-N 1 0 264.413 2.702 10 10 CFCERO CC[C@@H](C)CN(C)c1ccc(C[NH2+]CCOC)cc1 ZINC000062735507 521974944 /nfs/dbraw/zinc/97/49/44/521974944.db2.gz FDCJTRXOJKVXPW-CQSZACIVSA-N 1 0 264.413 2.905 10 10 CFCERO Cc1cccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1O ZINC000228174467 524404446 /nfs/dbraw/zinc/40/44/46/524404446.db2.gz RGGZQQILVNXGJS-CABCVRRESA-N 1 0 261.365 2.844 10 10 CFCERO COc1ccc(N2CC[C@@H](C[NH2+]CC(C)C)C2)c(OC)c1 ZINC000053011726 524441140 /nfs/dbraw/zinc/44/11/40/524441140.db2.gz WAXPVKAOIPHANY-AWEZNQCLSA-N 1 0 292.423 2.776 10 10 CFCERO COc1ccc(N2CC[C@H](C[NH2+]CC(C)C)C2)cc1OC ZINC000053011207 524441418 /nfs/dbraw/zinc/44/14/18/524441418.db2.gz OYHKBGGLSQTRJL-CQSZACIVSA-N 1 0 292.423 2.776 10 10 CFCERO COc1ccc(N2C[C@H](C)C[NH2+]C[C@@H](C)C2)c(C)c1 ZINC000061569001 524448276 /nfs/dbraw/zinc/44/82/76/524448276.db2.gz KHUFHHISORZVGR-CHWSQXEVSA-N 1 0 262.397 2.685 10 10 CFCERO Oc1ccc(Cl)cc1C[NH2+]CCN1CCCCC1 ZINC000049574567 526347449 /nfs/dbraw/zinc/34/74/49/526347449.db2.gz NYXVMWVJBDWBTG-UHFFFAOYSA-N 1 0 268.788 2.621 10 10 CFCERO CC[NH2+][C@H](C)c1ccc(N2CCO[C@@H](CC)C2)cc1 ZINC000036770065 535516838 /nfs/dbraw/zinc/51/68/38/535516838.db2.gz VBQZGRSUIYJOGN-CJNGLKHVSA-N 1 0 262.397 2.972 10 10 CFCERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(OC)cc1 ZINC000083457320 535825432 /nfs/dbraw/zinc/82/54/32/535825432.db2.gz VQADPBSMMNVCRH-CZUORRHYSA-N 1 0 262.397 2.908 10 10 CFCERO C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(N(C)C)cc1 ZINC000150989695 622802518 /nfs/dbraw/zinc/80/25/18/622802518.db2.gz IQRPVKGIQDHAFZ-ZDUSSCGKSA-N 1 0 292.423 2.915 10 10 CFCERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCC3)cn1 ZINC000171361541 623217540 /nfs/dbraw/zinc/21/75/40/623217540.db2.gz GTFBDGFHCHJUCM-KRWDZBQOSA-N 1 0 297.402 2.952 10 10 CFCERO Cn1cc([C@H]2CC[N@H+](Cc3cc4c(cc3O)CCC4)C2)cn1 ZINC000116257974 636323775 /nfs/dbraw/zinc/32/37/75/636323775.db2.gz HCKZOGKXYKPFNS-HNNXBMFYSA-N 1 0 297.402 2.604 10 10 CFCERO C[C@@H]1C[NH+](Cc2cc3c(cc2O)CCCC3)C[C@@H](C)O1 ZINC000159456919 650262259 /nfs/dbraw/zinc/26/22/59/650262259.db2.gz ZRIMGAQEZFWWOZ-CHWSQXEVSA-N 1 0 275.392 2.880 10 10 CFCERO CC[C@H]([NH2+]CCn1cc(C)cn1)c1ccc(N(C)C)cc1 ZINC000124055283 641764415 /nfs/dbraw/zinc/76/44/15/641764415.db2.gz RWKOKHWLOZKTPU-KRWDZBQOSA-N 1 0 286.423 2.998 10 10 CFCERO C[N@H+](CCOc1ccc(N)cc1)Cc1ccccc1 ZINC000019731846 346242050 /nfs/dbraw/zinc/24/20/50/346242050.db2.gz VQAWOAHMJCDEGE-UHFFFAOYSA-N 1 0 256.349 2.780 10 10 CFCERO CN(C)c1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000092810222 375158284 /nfs/dbraw/zinc/15/82/84/375158284.db2.gz JTAFQQVLAGRBJU-UHFFFAOYSA-N 1 0 298.434 2.866 10 10 CFCERO CC(C)(C)[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000113342644 376011678 /nfs/dbraw/zinc/01/16/78/376011678.db2.gz MVNYWVGGXRYYDN-GFCCVEGCSA-N 1 0 257.761 2.542 10 10 CFCERO Cc1cccc(C[NH2+][C@H]2COc3ccccc32)c1O ZINC000124808952 377089626 /nfs/dbraw/zinc/08/96/26/377089626.db2.gz JZAWOLCJWXTRCQ-AWEZNQCLSA-N 1 0 255.317 2.924 10 10 CFCERO COc1ccc(O)c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000179981827 380605916 /nfs/dbraw/zinc/60/59/16/380605916.db2.gz SOYFYOYFFXSCNL-UHFFFAOYSA-N 1 0 287.363 2.504 10 10 CFCERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000183552225 381288026 /nfs/dbraw/zinc/28/80/26/381288026.db2.gz JJPLLDLIWRLDJC-AAEUAGOBSA-N 1 0 286.379 2.732 10 10 CFCERO [NH3+][C@@H](CC(F)F)c1cc(Br)ccc1O ZINC000575438476 382771101 /nfs/dbraw/zinc/77/11/01/382771101.db2.gz LARNZSRCDHJCSO-ZETCQYMHSA-N 1 0 266.085 2.810 10 10 CFCERO CC[C@H]1C[NH2+]CCN1c1ccc(OC)c(Cl)c1 ZINC000083407814 135019377 /nfs/dbraw/zinc/01/93/77/135019377.db2.gz MIUFMUCJQKSYOZ-JTQLQIEISA-N 1 0 254.761 2.537 10 10 CFCERO CCOc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C(C)C)cc1 ZINC000083457361 135023317 /nfs/dbraw/zinc/02/33/17/135023317.db2.gz XVLCFDSTKPVUGY-CZUORRHYSA-N 1 0 262.397 2.908 10 10 CFCERO COc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)cc1F ZINC000083493163 135024276 /nfs/dbraw/zinc/02/42/76/135024276.db2.gz XWXKOCQNGLJERA-SMDDNHRTSA-N 1 0 266.360 2.657 10 10 CFCERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc(OC)c(Cl)c1 ZINC000083511896 135025567 /nfs/dbraw/zinc/02/55/67/135025567.db2.gz PPLDJAGGNQQULU-GHMZBOCLSA-N 1 0 268.788 2.925 10 10 CFCERO C[C@@H]([NH2+][C@H](C)c1ccc(O)cc1O)c1ccccn1 ZINC000020123397 171004164 /nfs/dbraw/zinc/00/41/64/171004164.db2.gz BNNNYGALCCNGCW-GHMZBOCLSA-N 1 0 258.321 2.905 10 10 CFCERO CC(C)OCCC[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000020198052 171061817 /nfs/dbraw/zinc/06/18/17/171061817.db2.gz QWGOLYORUVAKJT-NSHDSACASA-N 1 0 253.342 2.564 10 10 CFCERO Nc1ccc(NC(=O)CCC[NH+]2CCCCCC2)cc1 ZINC000022152200 171359732 /nfs/dbraw/zinc/35/97/32/171359732.db2.gz FWZKMVCOBAYSMA-UHFFFAOYSA-N 1 0 275.396 2.864 10 10 CFCERO CN(C)c1ccc([C@H](C[NH3+])N(C)c2ccccc2)cc1 ZINC000022223289 171379200 /nfs/dbraw/zinc/37/92/00/171379200.db2.gz XZNDZIWNMPYZAV-KRWDZBQOSA-N 1 0 269.392 2.889 10 10 CFCERO CC[C@H](C)N(CCOC)c1ccc(C[NH2+]C)cc1 ZINC000042588551 174810388 /nfs/dbraw/zinc/81/03/88/174810388.db2.gz FGSKYNNCBBZVEV-ZDUSSCGKSA-N 1 0 250.386 2.657 10 10 CFCERO CC(C)CCOCCN(C)c1ccc(C[NH3+])cc1 ZINC000049265238 519665623 /nfs/dbraw/zinc/66/56/23/519665623.db2.gz BHCDHFZKYJWPDA-UHFFFAOYSA-N 1 0 250.386 2.644 10 10 CFCERO CC[NH2+]C[C@H]1CCN(c2ccc(OC(F)F)cc2)C1 ZINC000053013358 519977600 /nfs/dbraw/zinc/97/76/00/519977600.db2.gz MSNSQLNPVZQTDW-LLVKDONJSA-N 1 0 270.323 2.724 10 10 CFCERO CCOc1ccc(N2CC[C@@H](C[NH2+]C(C)C)C2)cc1 ZINC000053010466 521043101 /nfs/dbraw/zinc/04/31/01/521043101.db2.gz SOLIFOWNXNUDCA-AWEZNQCLSA-N 1 0 262.397 2.910 10 10 CFCERO CCN(c1ccc(C[NH2+]CCOC)cc1F)C(C)C ZINC000062735146 521488583 /nfs/dbraw/zinc/48/85/83/521488583.db2.gz MHCCXMMTVZFODE-UHFFFAOYSA-N 1 0 268.376 2.796 10 10 CFCERO C[NH2+]Cc1cc(F)c(N(C)Cc2ccoc2)c(F)c1 ZINC000062711991 522110955 /nfs/dbraw/zinc/11/09/55/522110955.db2.gz RGRUQNGLWZRLOG-UHFFFAOYSA-N 1 0 266.291 2.914 10 10 CFCERO CC[C@@H]1CO[C@H](C)CN1c1ccc(C[NH3+])cc1Cl ZINC000062792908 523520806 /nfs/dbraw/zinc/52/08/06/523520806.db2.gz CCMPBOAURRBKJA-ZYHUDNBSSA-N 1 0 268.788 2.802 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N2CCO[C@@H](C)C2)c(Br)c1 ZINC000061694072 525027731 /nfs/dbraw/zinc/02/77/31/525027731.db2.gz GLSCFLAZRHRXHM-VHSXEESVSA-N 1 0 299.212 2.694 10 10 CFCERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cc(F)ccc1O ZINC000094618358 525387730 /nfs/dbraw/zinc/38/77/30/525387730.db2.gz FDEQAEWHGDNXAK-MJVIPROJSA-N 1 0 267.344 2.733 10 10 CFCERO COc1cccc(C[NH2+][C@H]2COc3ccccc32)c1O ZINC000070070136 526039812 /nfs/dbraw/zinc/03/98/12/526039812.db2.gz VFLQTOKOBNEURP-ZDUSSCGKSA-N 1 0 271.316 2.624 10 10 CFCERO C[NH2+][C@H](C)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000261654784 618125734 /nfs/dbraw/zinc/12/57/34/618125734.db2.gz FLGWZRSRDDQPGN-CYBMUJFWSA-N 1 0 299.418 2.740 10 10 CFCERO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000188416171 618169153 /nfs/dbraw/zinc/16/91/53/618169153.db2.gz HWPXKUNHGKQBTC-OAHLLOKOSA-N 1 0 271.364 2.562 10 10 CFCERO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)cc1 ZINC000191732808 618384617 /nfs/dbraw/zinc/38/46/17/618384617.db2.gz ORQOWEYCEZHDHT-ZBFHGGJFSA-N 1 0 276.424 2.593 10 10 CFCERO COc1cc(Br)cc([C@@H]([NH3+])C(C)C)c1O ZINC000095673402 619165425 /nfs/dbraw/zinc/16/54/25/619165425.db2.gz LOAANITWUYVLQY-JTQLQIEISA-N 1 0 274.158 2.819 10 10 CFCERO C[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(N(C)C)cc1 ZINC000150989747 622802308 /nfs/dbraw/zinc/80/23/08/622802308.db2.gz IQRPVKGIQDHAFZ-CYBMUJFWSA-N 1 0 292.423 2.915 10 10 CFCERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)CCC3)cn1 ZINC000171361545 623217641 /nfs/dbraw/zinc/21/76/41/623217641.db2.gz GTFBDGFHCHJUCM-QGZVFWFLSA-N 1 0 297.402 2.952 10 10 CFCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000231672836 623362462 /nfs/dbraw/zinc/36/24/62/623362462.db2.gz MKXIMMXVRJQNFR-NVXWUHKLSA-N 1 0 274.408 2.801 10 10 CFCERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(N(C)C)cc1 ZINC000182075219 625255112 /nfs/dbraw/zinc/25/51/12/625255112.db2.gz UTTXXSHIWGVCEC-FUHWJXTLSA-N 1 0 287.451 2.811 10 10 CFCERO Oc1cccc(Cl)c1C[NH2+]CC[C@@H]1CCCO1 ZINC000083551794 625977479 /nfs/dbraw/zinc/97/74/79/625977479.db2.gz METHZAJDIDTALT-JTQLQIEISA-N 1 0 255.745 2.704 10 10 CFCERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000040502520 649985094 /nfs/dbraw/zinc/98/50/94/649985094.db2.gz WSAZNLFKKRHREV-UONOGXRCSA-N 1 0 262.397 2.836 10 10 CFCERO CCC[C@@H]([NH3+])c1c(O)c(N)ccc1Br ZINC000306735807 348391684 /nfs/dbraw/zinc/39/16/84/348391684.db2.gz PQZKJURPUICGTB-SSDOTTSWSA-N 1 0 259.147 2.537 10 10 CFCERO C[NH2+]CCN(C)c1ccc(OC(C)C)c(Cl)c1 ZINC000107296415 186168632 /nfs/dbraw/zinc/16/86/32/186168632.db2.gz XXENQTIYLFBCGU-UHFFFAOYSA-N 1 0 256.777 2.783 10 10 CFCERO Oc1cc2c(cc1O)[C@@H](C1CCCCC1)C[NH2+]CC2 ZINC000013650240 372038455 /nfs/dbraw/zinc/03/84/55/372038455.db2.gz SXGYBSIOYXDBIR-CQSZACIVSA-N 1 0 261.365 2.907 10 10 CFCERO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000131802981 377761196 /nfs/dbraw/zinc/76/11/96/377761196.db2.gz FAHNGTCRWBXVGR-KRWDZBQOSA-N 1 0 284.407 2.823 10 10 CFCERO COC1(C[NH2+]Cc2cccc(F)c2[O-])CCCC1 ZINC000296021463 381214893 /nfs/dbraw/zinc/21/48/93/381214893.db2.gz MLBYNPPZSRRRFZ-UHFFFAOYSA-N 1 0 253.317 2.580 10 10 CFCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000246913501 383120040 /nfs/dbraw/zinc/12/00/40/383120040.db2.gz HXMYDZCWDGYCKC-GZBFAFLISA-N 1 0 263.381 2.902 10 10 CFCERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1O ZINC000248403513 393908242 /nfs/dbraw/zinc/90/82/42/393908242.db2.gz YMUXIZLXVNDCFA-CABCVRRESA-N 1 0 278.371 2.590 10 10 CFCERO C[C@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1cccnc1 ZINC000020127682 171012964 /nfs/dbraw/zinc/01/29/64/171012964.db2.gz GEBISASRXFQNQR-QWRGUYRKSA-N 1 0 258.321 2.905 10 10 CFCERO CC(C)OCCC[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000020198112 171061841 /nfs/dbraw/zinc/06/18/41/171061841.db2.gz NSOWZAHLDAEHHB-NSHDSACASA-N 1 0 253.342 2.564 10 10 CFCERO Oc1ccc(C[NH2+][C@H]2CCCc3occc32)cc1O ZINC000020204059 171068972 /nfs/dbraw/zinc/06/89/72/171068972.db2.gz POSLVDNEAINXJB-LBPRGKRZSA-N 1 0 259.305 2.858 10 10 CFCERO C[C@@H](c1ccc2ccccc2c1O)N1CC[NH2+]CC1 ZINC000038086692 174097858 /nfs/dbraw/zinc/09/78/58/174097858.db2.gz SCNXNMKOKUEANE-LBPRGKRZSA-N 1 0 256.349 2.512 10 10 CFCERO Cc1csc(C[NH2+][C@H](C)c2ccc(O)cc2O)n1 ZINC000038090623 174104157 /nfs/dbraw/zinc/10/41/57/174104157.db2.gz GQLVKIMQCYEJFA-SECBINFHSA-N 1 0 264.350 2.714 10 10 CFCERO CN(C)c1nn(C)c(=[N+]=Nc2ccc(N(C)C)cc2)s1 ZINC000038605042 174149441 /nfs/dbraw/zinc/14/94/41/174149441.db2.gz LLXWTGHZUVRVRD-UHFFFAOYSA-N 1 0 291.404 2.515 10 10 CFCERO CN(C)c1ccc([C@H](CN)[NH+]2CCCCCC2)cc1 ZINC000038827608 174156680 /nfs/dbraw/zinc/15/66/80/174156680.db2.gz WJHUOZXOMLSMDF-INIZCTEOSA-N 1 0 261.413 2.628 10 10 CFCERO C[NH2+]CC[C@H]1CCN(c2ccc(OC(C)C)cc2)C1 ZINC000076356808 176999082 /nfs/dbraw/zinc/99/90/82/176999082.db2.gz NQYNEOBABQTJJH-AWEZNQCLSA-N 1 0 262.397 2.910 10 10 CFCERO CCO[C@H]1CCCN(c2ccc(C[NH2+]C)c(C)c2)C1 ZINC000050584241 520527637 /nfs/dbraw/zinc/52/76/37/520527637.db2.gz QPGDYYOVYAVCLF-INIZCTEOSA-N 1 0 262.397 2.720 10 10 CFCERO CC[NH2+]C[C@@H]1CCN(c2ccc(OC)c(Cl)c2)C1 ZINC000053011782 519951997 /nfs/dbraw/zinc/95/19/97/519951997.db2.gz WFJNVZRSUBQYEX-NSHDSACASA-N 1 0 268.788 2.784 10 10 CFCERO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1O ZINC000228675086 522540291 /nfs/dbraw/zinc/54/02/91/522540291.db2.gz MUNDOULEHBCCEJ-ZWNOBZJWSA-N 1 0 299.798 2.695 10 10 CFCERO Cc1cccc(C[N@H+]2C[C@H]3CCCCN3C[C@@H]2C)c1O ZINC000158034280 524411390 /nfs/dbraw/zinc/41/13/90/524411390.db2.gz NCFFDXXULYWNOM-GOEBONIOSA-N 1 0 274.408 2.759 10 10 CFCERO C[C@@H](CCCO)[NH2+]Cc1c(O)ccc2ccccc21 ZINC000094941992 524462800 /nfs/dbraw/zinc/46/28/00/524462800.db2.gz RKZRBBGNIUPICN-LBPRGKRZSA-N 1 0 259.349 2.796 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N2C[C@@H](C)OC[C@H]2C)c(Cl)c1 ZINC000061695193 525028134 /nfs/dbraw/zinc/02/81/34/525028134.db2.gz VKOHGAYASZDJTC-GMTAPVOTSA-N 1 0 268.788 2.973 10 10 CFCERO Cc1ccc(O)c(C[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000092810530 525340253 /nfs/dbraw/zinc/34/02/53/525340253.db2.gz TZECRXFDFRDMAU-UHFFFAOYSA-N 1 0 285.391 2.814 10 10 CFCERO Oc1ccc2ccccc2c1C[NH2+]CC1(O)CCCC1 ZINC000096479236 526357315 /nfs/dbraw/zinc/35/73/15/526357315.db2.gz DOEBQZJNDBXGHO-UHFFFAOYSA-N 1 0 271.360 2.940 10 10 CFCERO COc1ccc(N2C[C@@H](C)[NH2+]C[C@H]2C(C)C)c(OC)c1 ZINC000083586894 536708235 /nfs/dbraw/zinc/70/82/35/536708235.db2.gz MWJJGEHZBFACDA-DOMZBBRYSA-N 1 0 278.396 2.527 10 10 CFCERO COc1ccc(N2C[C@@H](C)[NH2+]C[C@H]2C(C)C)cc1F ZINC000083493200 536708335 /nfs/dbraw/zinc/70/83/35/536708335.db2.gz OVXFMFURAKHOAK-RISCZKNCSA-N 1 0 266.360 2.657 10 10 CFCERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccccc1O ZINC000040502297 618196058 /nfs/dbraw/zinc/19/60/58/618196058.db2.gz ZTGCISKXTILPDG-HIFRSBDPSA-N 1 0 262.397 2.917 10 10 CFCERO CC(C)[N@H+](Cc1cc2c(cc1O)OCO2)C1CCC1 ZINC000093608405 619038688 /nfs/dbraw/zinc/03/86/88/619038688.db2.gz RBHHNMZAAPCMMV-UHFFFAOYSA-N 1 0 263.337 2.884 10 10 CFCERO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000164338081 622949583 /nfs/dbraw/zinc/94/95/83/622949583.db2.gz WTDUCRZPNDSUCA-CQSZACIVSA-N 1 0 285.391 2.732 10 10 CFCERO COc1ccc(O)c(C[NH2+][C@H](C)c2cncc(F)c2)c1 ZINC000089725881 624327827 /nfs/dbraw/zinc/32/78/27/624327827.db2.gz BWECSRNBIYZPCJ-SNVBAGLBSA-N 1 0 276.311 2.786 10 10 CFCERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1c(O)cccc1Cl ZINC000156083775 650042691 /nfs/dbraw/zinc/04/26/91/650042691.db2.gz ZZYRSWGGJRUQEY-LBPRGKRZSA-N 1 0 282.815 2.962 10 10 CFCERO Oc1cc(Br)ccc1[C@@H]1CCCC[NH2+]1 ZINC000096884302 185119970 /nfs/dbraw/zinc/11/99/70/185119970.db2.gz GZUVFFRRGBWPOY-JTQLQIEISA-N 1 0 256.143 2.969 10 10 CFCERO CCN(C)c1ccc([C@H](C)[NH3+])cc1Br ZINC000061694723 346681687 /nfs/dbraw/zinc/68/16/87/346681687.db2.gz BXPBDUCUWPZFGJ-QMMMGPOBSA-N 1 0 257.175 2.925 10 10 CFCERO CCN(C)c1ccc(C[NH3+])c(Br)c1F ZINC000231838876 348208913 /nfs/dbraw/zinc/20/89/13/348208913.db2.gz LERZHUMJWIVXFN-UHFFFAOYSA-N 1 0 261.138 2.503 10 10 CFCERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cc(F)ccc1O ZINC000252840835 299365089 /nfs/dbraw/zinc/36/50/89/299365089.db2.gz AFZGIQVNHLAFEN-PSOPSSQASA-N 1 0 267.344 2.876 10 10 CFCERO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000124833687 377094243 /nfs/dbraw/zinc/09/42/43/377094243.db2.gz LMHOKIGZVYTVKE-GWCFXTLKSA-N 1 0 269.772 2.686 10 10 CFCERO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)c1 ZINC000179572757 380558602 /nfs/dbraw/zinc/55/86/02/380558602.db2.gz DPFKKHMTTBYMLV-OAHLLOKOSA-N 1 0 271.364 2.734 10 10 CFCERO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000180373842 380649114 /nfs/dbraw/zinc/64/91/14/380649114.db2.gz OYXAZPFMKXYLSE-PBHICJAKSA-N 1 0 291.391 2.528 10 10 CFCERO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188410469 382410037 /nfs/dbraw/zinc/41/00/37/382410037.db2.gz FVRKOAQIQPJIBJ-AWEZNQCLSA-N 1 0 291.782 2.907 10 10 CFCERO C[NH+](C)CCC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000272259383 385490803 /nfs/dbraw/zinc/49/08/03/385490803.db2.gz JWBLUXFXTATZHB-UHFFFAOYSA-N 1 0 280.387 2.695 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1ccncc1 ZINC000020121345 171000044 /nfs/dbraw/zinc/00/00/44/171000044.db2.gz RHNFWECFBZOVFT-MNOVXSKESA-N 1 0 258.321 2.905 10 10 CFCERO COc1cccc(C[NH2+][C@H](C)c2ccncc2)c1O ZINC000020121245 171000220 /nfs/dbraw/zinc/00/02/20/171000220.db2.gz RTQHQBQSGMUWFP-LLVKDONJSA-N 1 0 258.321 2.647 10 10 CFCERO C[C@H]1CCCC[N@@H+]1[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000022162388 171364818 /nfs/dbraw/zinc/36/48/18/171364818.db2.gz JZDUDZVKVXVECM-BBRMVZONSA-N 1 0 261.413 2.627 10 10 CFCERO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccc(N)cc2)C1 ZINC000022221974 171378888 /nfs/dbraw/zinc/37/88/88/171378888.db2.gz IHHXMERGFUYNEY-STQMWFEESA-N 1 0 275.396 2.575 10 10 CFCERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000037242397 173059209 /nfs/dbraw/zinc/05/92/09/173059209.db2.gz BQYOFNLSIKPMEQ-XEZPLFJOSA-N 1 0 262.397 2.971 10 10 CFCERO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)N1CCC(C)CC1 ZINC000040165711 174197402 /nfs/dbraw/zinc/19/74/02/174197402.db2.gz CMDGUWAJHIKDJY-INIZCTEOSA-N 1 0 289.467 2.963 10 10 CFCERO Oc1cccc(C[NH2+]CCc2ccc(F)cc2)c1O ZINC000041116247 174484773 /nfs/dbraw/zinc/48/47/73/174484773.db2.gz VJIHEPZDLRCGTD-UHFFFAOYSA-N 1 0 261.296 2.569 10 10 CFCERO C[NH2+]Cc1ccc(N(C)Cc2cscn2)cc1C ZINC000050584652 522118933 /nfs/dbraw/zinc/11/89/33/522118933.db2.gz ZMEOFKHKYUGENT-UHFFFAOYSA-N 1 0 261.394 2.807 10 10 CFCERO CC(C)OCCN(c1ccc(C[NH3+])cc1)C(C)C ZINC000049259278 519765283 /nfs/dbraw/zinc/76/52/83/519765283.db2.gz VFVCRAKNMSNXMM-UHFFFAOYSA-N 1 0 250.386 2.785 10 10 CFCERO C[NH2+][C@@H]1CCN(c2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000049712137 522396601 /nfs/dbraw/zinc/39/66/01/522396601.db2.gz QKNDUVDFHAUEEC-WDEREUQCSA-N 1 0 268.788 2.925 10 10 CFCERO CC[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccccc1O ZINC000156277264 522924840 /nfs/dbraw/zinc/92/48/40/522924840.db2.gz HQABLXPOBVTTRW-CHWSQXEVSA-N 1 0 272.352 2.560 10 10 CFCERO CN(Cc1cccnc1)c1ccc(C[NH3+])cc1Cl ZINC000062792893 523420937 /nfs/dbraw/zinc/42/09/37/523420937.db2.gz GDBKLBBXYSBJRO-UHFFFAOYSA-N 1 0 261.756 2.830 10 10 CFCERO Cc1cc(C[NH2+]C(C)C)ccc1N1CCO[C@@H](C)C1 ZINC000050559825 524750064 /nfs/dbraw/zinc/75/00/64/524750064.db2.gz OHHXDWFDKBFYFL-AWEZNQCLSA-N 1 0 262.397 2.718 10 10 CFCERO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(O)cc1O ZINC000049154325 524761660 /nfs/dbraw/zinc/76/16/60/524761660.db2.gz RLCQFBOHAAUKES-SNVBAGLBSA-N 1 0 263.362 2.880 10 10 CFCERO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(O)cc1O ZINC000049154322 524939748 /nfs/dbraw/zinc/93/97/48/524939748.db2.gz RLCQFBOHAAUKES-JTQLQIEISA-N 1 0 263.362 2.880 10 10 CFCERO Cc1cc(N2CCC([NH3+])CC2)ccc1OCC(F)F ZINC000063063369 525057650 /nfs/dbraw/zinc/05/76/50/525057650.db2.gz BDWYKUYJPCOQAY-UHFFFAOYSA-N 1 0 270.323 2.566 10 10 CFCERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccc(OC(F)F)cc1 ZINC000049710362 525418993 /nfs/dbraw/zinc/41/89/93/525418993.db2.gz VLMLHYIZXCEVAA-NXEZZACHSA-N 1 0 256.296 2.604 10 10 CFCERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cc(F)ccc1O ZINC000245873140 525526496 /nfs/dbraw/zinc/52/64/96/525526496.db2.gz HBDNJSJOIQIDRO-PKFCDNJMSA-N 1 0 253.317 2.749 10 10 CFCERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(OC(F)F)cc1 ZINC000083517155 536169949 /nfs/dbraw/zinc/16/99/49/536169949.db2.gz DHXYROPTTVVPPC-MNOVXSKESA-N 1 0 270.323 2.865 10 10 CFCERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1ccc(OC)cc1 ZINC000083457319 536169976 /nfs/dbraw/zinc/16/99/76/536169976.db2.gz VQADPBSMMNVCRH-BBRMVZONSA-N 1 0 262.397 2.908 10 10 CFCERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000040502810 618196693 /nfs/dbraw/zinc/19/66/93/618196693.db2.gz CLMGXFXOPWARKM-GOEBONIOSA-N 1 0 275.440 2.888 10 10 CFCERO Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCCCN3C[C@@H]2C)c1 ZINC000211545995 644957121 /nfs/dbraw/zinc/95/71/21/644957121.db2.gz LKYVFTYYQPYXSS-HOCLYGCPSA-N 1 0 274.408 2.759 10 10 CFCERO C[NH2+]CCN(C)c1cc(C(C)C)c(OC)cc1C ZINC000107294868 186167962 /nfs/dbraw/zinc/16/79/62/186167962.db2.gz LZVMEYBCDSCOSN-UHFFFAOYSA-N 1 0 250.386 2.783 10 10 CFCERO COc1ccc(N2CC[NH2+][C@@H](C)CC2)cc1Cl ZINC000084594953 539849501 /nfs/dbraw/zinc/84/95/01/539849501.db2.gz NZMFSSMCRRJUIW-JTQLQIEISA-N 1 0 254.761 2.537 10 10 CFCERO COc1ccc(N2CC[NH2+][C@@H](C)CC2)cc1Br ZINC000675059339 540645580 /nfs/dbraw/zinc/64/55/80/540645580.db2.gz OOPCXHJLQLBRQR-JTQLQIEISA-N 1 0 299.212 2.646 10 10 CFCERO C[N@@H+]1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 ZINC000013739902 372046903 /nfs/dbraw/zinc/04/69/03/372046903.db2.gz MLHHCALLRFUZLA-MRXNPFEDSA-N 1 0 255.317 2.675 10 10 CFCERO C[C@@H]1C[NH+](Cc2cccc(Cl)c2[O-])C[C@@H](C)O1 ZINC000124499449 377056120 /nfs/dbraw/zinc/05/61/20/377056120.db2.gz BCPOFIQJBVYIKZ-NXEZZACHSA-N 1 0 255.745 2.655 10 10 CFCERO CCn1cc(C2CC[NH+](Cc3ccccc3O)CC2)cn1 ZINC000179567588 380559285 /nfs/dbraw/zinc/55/92/85/380559285.db2.gz IDXBPCDSRXSPFJ-UHFFFAOYSA-N 1 0 285.391 2.988 10 10 CFCERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186096370 381823365 /nfs/dbraw/zinc/82/33/65/381823365.db2.gz TZXIHNCDTBZBTA-RISCZKNCSA-N 1 0 286.379 2.786 10 10 CFCERO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000245548447 383005625 /nfs/dbraw/zinc/00/56/25/383005625.db2.gz XSENZSXVVIVIMV-WBVHZDCISA-N 1 0 291.391 2.934 10 10 CFCERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1ccc2c(c1)OCO2 ZINC000083548510 135029118 /nfs/dbraw/zinc/02/91/18/135029118.db2.gz FOMGYRFXVWCJGF-OCCSQVGLSA-N 1 0 276.380 2.628 10 10 CFCERO CC[C@@H]1CN(c2ccc(OC)cc2OC)[C@@H](CC)C[NH2+]1 ZINC000083586812 135030177 /nfs/dbraw/zinc/03/01/77/135030177.db2.gz UCZIAFILXHJJEI-OLZOCXBDSA-N 1 0 278.396 2.671 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(O)cc1O ZINC000020123398 171004307 /nfs/dbraw/zinc/00/43/07/171004307.db2.gz BNNNYGALCCNGCW-MNOVXSKESA-N 1 0 258.321 2.905 10 10 CFCERO CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1O)N(C)C ZINC000020145615 171030708 /nfs/dbraw/zinc/03/07/08/171030708.db2.gz PYVUGHXVRVMIMP-TZMCWYRMSA-N 1 0 250.386 2.629 10 10 CFCERO CN(C)c1ccc([C@@H](CN)[N@H+](C)CC(C)(C)C)cc1 ZINC000020226120 171089336 /nfs/dbraw/zinc/08/93/36/171089336.db2.gz AMEYRDJMSWTIFF-OAHLLOKOSA-N 1 0 263.429 2.730 10 10 CFCERO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(O)c(O)c1 ZINC000035254113 172083418 /nfs/dbraw/zinc/08/34/18/172083418.db2.gz AXMORSKZZILAAX-JTQLQIEISA-N 1 0 263.362 2.880 10 10 CFCERO CN(Cc1cccs1)c1ccc(C[NH3+])cc1F ZINC000035718065 172372094 /nfs/dbraw/zinc/37/20/94/172372094.db2.gz ZYGVZXBLCJUQNV-UHFFFAOYSA-N 1 0 250.342 2.982 10 10 CFCERO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c(O)c1 ZINC000038028715 174017757 /nfs/dbraw/zinc/01/77/57/174017757.db2.gz RAHJZNHRAOIVME-ZIAGYGMSSA-N 1 0 292.423 2.926 10 10 CFCERO CN(C)c1ccc(C[N@@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032564 174029192 /nfs/dbraw/zinc/02/91/92/174029192.db2.gz BURNLEQAPKUOJR-UHFFFAOYSA-N 1 0 281.403 2.893 10 10 CFCERO COCCN(c1ccc(C[NH3+])cc1C)[C@H](C)C1CC1 ZINC000042613803 174825752 /nfs/dbraw/zinc/82/57/52/174825752.db2.gz YJARNJVRHRLJSO-CYBMUJFWSA-N 1 0 262.397 2.705 10 10 CFCERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000269013527 290044501 /nfs/dbraw/zinc/04/45/01/290044501.db2.gz NIHCHWQLCJDEAD-QRTARXTBSA-N 1 0 276.424 2.954 10 10 CFCERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363593 519775903 /nfs/dbraw/zinc/77/59/03/519775903.db2.gz AWBHKKRLOJMKFX-INIZCTEOSA-N 1 0 276.424 2.687 10 10 CFCERO CCOc1ccc(N2[C@@H]3CC[C@H]2CC([NH2+]C)C3)cc1 ZINC000054627251 521044548 /nfs/dbraw/zinc/04/45/48/521044548.db2.gz QNXVUNGGRRFWNP-LQDVMPOASA-N 1 0 260.381 2.805 10 10 CFCERO C[NH2+]Cc1ccc(N(C)C[C@@H]2CCCCO2)cc1C ZINC000050583547 522119537 /nfs/dbraw/zinc/11/95/37/522119537.db2.gz ZJNXKWPFBICTME-INIZCTEOSA-N 1 0 262.397 2.720 10 10 CFCERO CCn1cccc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000091023032 523500757 /nfs/dbraw/zinc/50/07/57/523500757.db2.gz BNZKVYDXGYIMIG-UHFFFAOYSA-N 1 0 257.381 2.864 10 10 CFCERO COCCN(C)c1ccc(C[NH2+]CC(C)C)cc1 ZINC000062736993 523636768 /nfs/dbraw/zinc/63/67/68/523636768.db2.gz MKEUHTCURAGYLS-UHFFFAOYSA-N 1 0 250.386 2.515 10 10 CFCERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1O ZINC000246207851 523805165 /nfs/dbraw/zinc/80/51/65/523805165.db2.gz NIIPJYOZHMBWKD-YUELXQCFSA-N 1 0 289.375 2.698 10 10 CFCERO COc1ccc(N2CC(C)(C)[NH2+]C[C@@H]2C)cc1Cl ZINC000058460354 524401183 /nfs/dbraw/zinc/40/11/83/524401183.db2.gz MIVCRXDQUWYQDT-JTQLQIEISA-N 1 0 268.788 2.925 10 10 CFCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000273609593 525364550 /nfs/dbraw/zinc/36/45/50/525364550.db2.gz VHSWNXUTZUURAY-FZMZJTMJSA-N 1 0 251.370 2.758 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H]1CCCO1 ZINC000094617011 525604623 /nfs/dbraw/zinc/60/46/23/525604623.db2.gz HBDNJSJOIQIDRO-RBZYPMLTSA-N 1 0 253.317 2.749 10 10 CFCERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c(O)c1 ZINC000273359545 525922273 /nfs/dbraw/zinc/92/22/73/525922273.db2.gz AFALEOOXLVRLJU-SMDDNHRTSA-N 1 0 251.370 2.758 10 10 CFCERO Cc1cc(C(=O)N2CC[NH2+][C@H](C)C2)c(C)n1-c1ccccc1 ZINC000188394890 526254902 /nfs/dbraw/zinc/25/49/02/526254902.db2.gz ZCDHMNNDJNZTAO-CYBMUJFWSA-N 1 0 297.402 2.528 10 10 CFCERO [NH3+]Cc1ccc(N2CCO[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000062793125 527256178 /nfs/dbraw/zinc/25/61/78/527256178.db2.gz PTBJHZONTZJZBW-GJZGRUSLSA-N 1 0 280.799 2.947 10 10 CFCERO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000077204539 618150924 /nfs/dbraw/zinc/15/09/24/618150924.db2.gz KSMNDIMXTQBHRH-ZWNOBZJWSA-N 1 0 269.772 2.686 10 10 CFCERO Cc1ccc(O)c(C[N@H+]2C[C@H]3CCCCN3C[C@H]2C)c1 ZINC000228180323 618863180 /nfs/dbraw/zinc/86/31/80/618863180.db2.gz LKYVFTYYQPYXSS-GDBMZVCRSA-N 1 0 274.408 2.759 10 10 CFCERO Cc1cc(C)c(O)c(C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000164295196 622948401 /nfs/dbraw/zinc/94/84/01/622948401.db2.gz PIUDNUCKVXJOCC-LBPRGKRZSA-N 1 0 251.395 2.946 10 10 CFCERO Nc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000061702157 623228955 /nfs/dbraw/zinc/22/89/55/623228955.db2.gz SQKWZEXWXQDABB-QGZVFWFLSA-N 1 0 268.360 2.922 10 10 CFCERO C[N@@H+]1CCc2cccc3c2[C@H]1Cc1cc(O)c(O)cc1-3 ZINC000003649984 346208791 /nfs/dbraw/zinc/20/87/91/346208791.db2.gz ISTXHGONSIOJQO-CQSZACIVSA-N 1 0 267.328 2.850 10 10 CFCERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000269013526 299369837 /nfs/dbraw/zinc/36/98/37/299369837.db2.gz NIHCHWQLCJDEAD-JLJPHGGASA-N 1 0 276.424 2.954 10 10 CFCERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(C)c1O ZINC000124597381 377067074 /nfs/dbraw/zinc/06/70/74/377067074.db2.gz QPBQTROHEVJTIQ-HNNXBMFYSA-N 1 0 262.397 2.617 10 10 CFCERO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131803191 377762054 /nfs/dbraw/zinc/76/20/54/377762054.db2.gz FAHNGTCRWBXVGR-QGZVFWFLSA-N 1 0 284.407 2.823 10 10 CFCERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000183552242 381287923 /nfs/dbraw/zinc/28/79/23/381287923.db2.gz JJPLLDLIWRLDJC-WCQYABFASA-N 1 0 286.379 2.732 10 10 CFCERO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccccc1O ZINC000183606438 381292925 /nfs/dbraw/zinc/29/29/25/381292925.db2.gz VZSNHXTXAJVFBY-ZIAGYGMSSA-N 1 0 298.390 2.502 10 10 CFCERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1O ZINC000184055353 381363672 /nfs/dbraw/zinc/36/36/72/381363672.db2.gz YMUXIZLXVNDCFA-HUUCEWRRSA-N 1 0 278.371 2.590 10 10 CFCERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297685662 381569525 /nfs/dbraw/zinc/56/95/25/381569525.db2.gz LSAHDHHLWYKCIP-MELADBBJSA-N 1 0 261.365 2.520 10 10 CFCERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)c(O)c1 ZINC000247053126 383136650 /nfs/dbraw/zinc/13/66/50/383136650.db2.gz QXQUJISCGIZCNG-GZBFAFLISA-N 1 0 263.381 2.902 10 10 CFCERO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000281311017 385189596 /nfs/dbraw/zinc/18/95/96/385189596.db2.gz QJWUVDCBTYPRLA-CLLJXQQHSA-N 1 0 279.380 2.694 10 10 CFCERO COc1cccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000282247632 385259503 /nfs/dbraw/zinc/25/95/03/385259503.db2.gz OKKZQFLJEQOLAJ-CLLJXQQHSA-N 1 0 279.380 2.694 10 10 CFCERO CC[C@@H]1CN(c2ccc(OC)c(F)c2)[C@@H](CC)C[NH2+]1 ZINC000083493183 135024280 /nfs/dbraw/zinc/02/42/80/135024280.db2.gz DBGDWSVQVVTMIJ-NEPJUHHUSA-N 1 0 266.360 2.801 10 10 CFCERO CC(C)[C@@H]1CN(c2ccc(OC(F)F)cc2)CC[NH2+]1 ZINC000083517110 135026095 /nfs/dbraw/zinc/02/60/95/135026095.db2.gz UVJRPRKZHLPALU-ZDUSSCGKSA-N 1 0 270.323 2.722 10 10 CFCERO C[C@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1ccncc1 ZINC000020121346 171000024 /nfs/dbraw/zinc/00/00/24/171000024.db2.gz RHNFWECFBZOVFT-QWRGUYRKSA-N 1 0 258.321 2.905 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1ccncc1 ZINC000020121262 171000717 /nfs/dbraw/zinc/00/07/17/171000717.db2.gz LPIFARRHWKWHEE-MNOVXSKESA-N 1 0 258.321 2.905 10 10 CFCERO COc1ccc([C@@H](C)[NH2+]Cc2ccncc2)c(O)c1 ZINC000020140524 171026868 /nfs/dbraw/zinc/02/68/68/171026868.db2.gz TXOCPSQHZASXQE-LLVKDONJSA-N 1 0 258.321 2.647 10 10 CFCERO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(O)c(O)c1 ZINC000020144626 171030031 /nfs/dbraw/zinc/03/00/31/171030031.db2.gz WWDFNAIIOHELFW-NSHDSACASA-N 1 0 261.321 2.802 10 10 CFCERO C[NH2+][C@@H](Cc1ccc(O)c(O)c1)c1ccc(C)cc1 ZINC000033891108 171824733 /nfs/dbraw/zinc/82/47/33/171824733.db2.gz OGAAMBUCMIUOBE-AWEZNQCLSA-N 1 0 257.333 2.909 10 10 CFCERO CCC[NH2+]C[C@@H]1CCN(c2ccc(OCC)cc2)C1 ZINC000053010461 519925397 /nfs/dbraw/zinc/92/53/97/519925397.db2.gz KQCOYQBJKGVOCM-AWEZNQCLSA-N 1 0 262.397 2.911 10 10 CFCERO CCC[NH2+]Cc1ccc(N(CC)CCOC)cc1C ZINC000050583762 519950989 /nfs/dbraw/zinc/95/09/89/519950989.db2.gz YGHXHKWCADEFJC-UHFFFAOYSA-N 1 0 264.413 2.967 10 10 CFCERO COCC[NH2+]Cc1ccc(N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000062734635 523951944 /nfs/dbraw/zinc/95/19/44/523951944.db2.gz XPVYVPFYLACMBR-HUUCEWRRSA-N 1 0 276.424 2.905 10 10 CFCERO C[C@H](CCO)C[NH2+]Cc1c(O)ccc2ccccc21 ZINC000097435911 524205877 /nfs/dbraw/zinc/20/58/77/524205877.db2.gz HAKLVXVEDBEPJP-GFCCVEGCSA-N 1 0 259.349 2.654 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N2C[C@H](C)OC[C@H]2C)c(Cl)c1 ZINC000061695194 525027958 /nfs/dbraw/zinc/02/79/58/525027958.db2.gz VKOHGAYASZDJTC-OUAUKWLOSA-N 1 0 268.788 2.973 10 10 CFCERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(OC(F)F)cc1 ZINC000083517158 535825052 /nfs/dbraw/zinc/82/50/52/535825052.db2.gz DHXYROPTTVVPPC-WDEREUQCSA-N 1 0 270.323 2.865 10 10 CFCERO CC[C@H]1CN(c2ccc(OC)c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000083511844 536160792 /nfs/dbraw/zinc/16/07/92/536160792.db2.gz HJAJUKPFQRAACD-MNOVXSKESA-N 1 0 268.788 2.925 10 10 CFCERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(C)c(C)cc1O ZINC000177159976 618358383 /nfs/dbraw/zinc/35/83/83/618358383.db2.gz NJMIPZMHFURFIU-MRXNPFEDSA-N 1 0 276.424 2.925 10 10 CFCERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000309923186 618895052 /nfs/dbraw/zinc/89/50/52/618895052.db2.gz UCZUDTDAFIKQKJ-CIUDSAMLSA-N 1 0 288.185 2.575 10 10 CFCERO N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1c1ccccc1O ZINC000096946961 185136939 /nfs/dbraw/zinc/13/69/39/185136939.db2.gz ANQQFDMYNZTMTO-RDJZCZTQSA-N 1 0 268.360 2.667 10 10 CFCERO C[C@H]([NH3+])c1ccc(N2CCOC[C@@H]2C)c(Br)c1 ZINC000103958943 136524843 /nfs/dbraw/zinc/52/48/43/136524843.db2.gz PPJQTLCYNBWPEI-UWVGGRQHSA-N 1 0 299.212 2.694 10 10 CFCERO COc1ccc(C[N@H+](C)CCOc2ccc(N)cc2)cc1 ZINC000038439350 346338767 /nfs/dbraw/zinc/33/87/67/346338767.db2.gz KGVSZGUBQUXNSY-UHFFFAOYSA-N 1 0 286.375 2.788 10 10 CFCERO CN(C)c1ccc([C@@H]([NH3+])[C@@H](N)c2ccc(N(C)C)cc2)cc1 ZINC000098088412 185685633 /nfs/dbraw/zinc/68/56/33/185685633.db2.gz XSUOYNMDPIEXBN-HDICACEKSA-N 1 0 298.434 2.518 10 10 CFCERO CCN(C)c1ccc([C@@H](C)[NH3+])cc1Br ZINC000061694722 346681797 /nfs/dbraw/zinc/68/17/97/346681797.db2.gz BXPBDUCUWPZFGJ-MRVPVSSYSA-N 1 0 257.175 2.925 10 10 CFCERO CCC[N@H+](Cc1ccccc1O)C[C@@](C)(O)CC ZINC000161328337 283297018 /nfs/dbraw/zinc/29/70/18/283297018.db2.gz GGFJSITWAUHEGH-HNNXBMFYSA-N 1 0 251.370 2.765 10 10 CFCERO CN(C)[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000112590111 375933261 /nfs/dbraw/zinc/93/32/61/375933261.db2.gz YAELEGXUDQSAGB-AWEZNQCLSA-N 1 0 270.376 2.681 10 10 CFCERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180239607 380638889 /nfs/dbraw/zinc/63/88/89/380638889.db2.gz HLXNYAQOYATUMJ-HNNXBMFYSA-N 1 0 289.354 2.701 10 10 CFCERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179932163 380600141 /nfs/dbraw/zinc/60/01/41/380600141.db2.gz SXGMMRNABXHABJ-HNNXBMFYSA-N 1 0 290.407 2.581 10 10 CFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)c1 ZINC000185507011 381652936 /nfs/dbraw/zinc/65/29/36/381652936.db2.gz NQKKTWBYPNNDPD-GUTXKFCHSA-N 1 0 263.381 2.902 10 10 CFCERO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(Cl)ccc1O ZINC000185662546 381697638 /nfs/dbraw/zinc/69/76/38/381697638.db2.gz XGWFYFIZWMOOKV-SKDRFNHKSA-N 1 0 292.770 2.823 10 10 CFCERO Cc1ccc(O)c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000282290899 385273276 /nfs/dbraw/zinc/27/32/76/385273276.db2.gz RCYRSJHWSJCWKW-BTTYYORXSA-N 1 0 263.381 2.994 10 10 CFCERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000120553818 393935965 /nfs/dbraw/zinc/93/59/65/393935965.db2.gz IOZHDULGZAWDTQ-SLEUVZQESA-N 1 0 278.371 2.721 10 10 CFCERO CCOc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)cc1 ZINC000083457119 135022889 /nfs/dbraw/zinc/02/28/89/135022889.db2.gz VWYKGTMHHLJEKN-BBRMVZONSA-N 1 0 262.397 2.908 10 10 CFCERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc(OC)cc1OC ZINC000083586814 135030128 /nfs/dbraw/zinc/03/01/28/135030128.db2.gz UCZIAFILXHJJEI-QWHCGFSZSA-N 1 0 278.396 2.671 10 10 CFCERO CC(C)[NH2+][C@@H](c1ccccc1)c1ccc(O)c(O)c1O ZINC000019880880 170908134 /nfs/dbraw/zinc/90/81/34/170908134.db2.gz GBJPHMILHJJSHR-AWEZNQCLSA-N 1 0 273.332 2.891 10 10 CFCERO C[C@@H](C[NH2+]Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000020137032 171024604 /nfs/dbraw/zinc/02/46/04/171024604.db2.gz FDZNJCYSXOEFMX-LBPRGKRZSA-N 1 0 257.333 2.991 10 10 CFCERO C=COCCC[NH2+][C@@H](C)c1ccc(OC)cc1O ZINC000020197809 171061886 /nfs/dbraw/zinc/06/18/86/171061886.db2.gz KFZNFEBEVFDDDH-NSHDSACASA-N 1 0 251.326 2.602 10 10 CFCERO C[C@H]1CCCC[N@@H+]1CCCC(=O)Nc1ccc(N)cc1 ZINC000022154631 171361354 /nfs/dbraw/zinc/36/13/54/171361354.db2.gz XJTOIOZNAQNVHG-ZDUSSCGKSA-N 1 0 275.396 2.862 10 10 CFCERO Oc1cc2c(cc1O)[C@H]1c3ccccc3C[NH2+][C@@H]1CC2 ZINC000025758512 171465555 /nfs/dbraw/zinc/46/55/55/171465555.db2.gz BGOQGUHWXBGXJW-RHSMWYFYSA-N 1 0 267.328 2.648 10 10 investigational CFCERO CC(C)N(Cc1ccccn1)c1ccc(C[NH3+])cc1 ZINC000034655239 171849006 /nfs/dbraw/zinc/84/90/06/171849006.db2.gz FVMSBYXTOYYPEC-UHFFFAOYSA-N 1 0 255.365 2.955 10 10 CFCERO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc3ccccn32)c1 ZINC000035628916 172307879 /nfs/dbraw/zinc/30/78/79/172307879.db2.gz YWVVYEVDUVTURJ-LBPRGKRZSA-N 1 0 282.347 2.594 10 10 CFCERO CN(Cc1ccsc1)c1ccc(C[NH3+])cc1F ZINC000035719624 172374393 /nfs/dbraw/zinc/37/43/93/172374393.db2.gz UPOUSWIPJARWRN-UHFFFAOYSA-N 1 0 250.342 2.982 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000037242401 173059207 /nfs/dbraw/zinc/05/92/07/173059207.db2.gz BQYOFNLSIKPMEQ-ZENOOKHLSA-N 1 0 262.397 2.971 10 10 CFCERO C[C@H](c1ccc(O)cc1O)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032502 174028593 /nfs/dbraw/zinc/02/85/93/174028593.db2.gz VYJJHSGBDUSRTG-LLVKDONJSA-N 1 0 284.359 2.799 10 10 CFCERO COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCO2)c(O)c1 ZINC000038095963 174110394 /nfs/dbraw/zinc/11/03/94/174110394.db2.gz QMBGUXLQQWNHKC-VXGBXAGGSA-N 1 0 265.353 2.621 10 10 CFCERO CCN1C(=O)/C(=C\C=C2\CCC[N@@H+]2CC)SC1=S ZINC000100114619 276152351 /nfs/dbraw/zinc/15/23/51/276152351.db2.gz KKACEFKPAJPBRW-BDLVGCLISA-N 1 0 282.434 2.750 10 10 CFCERO CCC[NH2+]C[C@@H]1CCN(c2ccc(OC)c(OC)c2)C1 ZINC000053011212 519923121 /nfs/dbraw/zinc/92/31/21/519923121.db2.gz QUVFAACFATYGPK-ZDUSSCGKSA-N 1 0 278.396 2.530 10 10 CFCERO CCC[NH2+][C@@H](C)c1ccc(N2CC[C@H](O)C2)c(Cl)c1 ZINC000061710677 519988578 /nfs/dbraw/zinc/98/85/78/519988578.db2.gz XMCPSOGQKPIOMW-AAEUAGOBSA-N 1 0 282.815 2.972 10 10 CFCERO CCOc1ccc(N2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000053010448 521042442 /nfs/dbraw/zinc/04/24/42/521042442.db2.gz PMEKHAWNTOVFRD-ZDUSSCGKSA-N 1 0 260.381 2.664 10 10 CFCERO CC[C@H]1CO[C@H](C)CN1c1ccc(C[NH3+])c(Cl)c1 ZINC000061845775 523354657 /nfs/dbraw/zinc/35/46/57/523354657.db2.gz YDDFFDGKVXPXMF-PWSUYJOCSA-N 1 0 268.788 2.802 10 10 CFCERO COCC[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000062734055 523951970 /nfs/dbraw/zinc/95/19/70/523951970.db2.gz SQIVPDCNXCBSMS-UHFFFAOYSA-N 1 0 262.397 2.659 10 10 CFCERO C[C@H]1COCCN1c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062735822 524723278 /nfs/dbraw/zinc/72/32/78/524723278.db2.gz XHZASLCEHNQKKO-ZDUSSCGKSA-N 1 0 262.397 2.800 10 10 CFCERO Cc1ccc(O)c(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000070379943 525354268 /nfs/dbraw/zinc/35/42/68/525354268.db2.gz UXIRGQYJBBGLSK-AWEZNQCLSA-N 1 0 255.317 2.924 10 10 CFCERO Cc1cc(C(=O)N2CCC[C@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC000157695474 526249447 /nfs/dbraw/zinc/24/94/47/526249447.db2.gz WIENCQHGJGWNCQ-HNNXBMFYSA-N 1 0 297.402 2.657 10 10 CFCERO Oc1cccc(C[NH2+]Cc2ccc(F)c(F)c2)c1O ZINC000049577574 526359537 /nfs/dbraw/zinc/35/95/37/526359537.db2.gz CUCLJFMBLSWHOE-UHFFFAOYSA-N 1 0 265.259 2.666 10 10 CFCERO Nc1cccc(Cl)c1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049564310 527518784 /nfs/dbraw/zinc/51/87/84/527518784.db2.gz RUQUFIGMPCXPJW-QWHCGFSZSA-N 1 0 265.788 2.961 10 10 CFCERO COc1ccc(N2CC[NH2+][C@H](C(C)C)C2)cc1Cl ZINC000083511788 536704943 /nfs/dbraw/zinc/70/49/43/536704943.db2.gz VXVLNNXVLGORGW-ZDUSSCGKSA-N 1 0 268.788 2.783 10 10 CFCERO Cc1cc(C)c(O)c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000164393133 622951544 /nfs/dbraw/zinc/95/15/44/622951544.db2.gz HRPMOEYQJWANNZ-HOCLYGCPSA-N 1 0 274.408 2.678 10 10 CFCERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C)ccc1O ZINC000248398593 650932834 /nfs/dbraw/zinc/93/28/34/650932834.db2.gz NNYNWRKWYUBTHR-CVEARBPZSA-N 1 0 274.408 2.759 10 10 CFCERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000249614872 650964557 /nfs/dbraw/zinc/96/45/57/650964557.db2.gz SGLWSPXKALMHKR-CHWSQXEVSA-N 1 0 278.396 2.536 10 10 CFCERO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)cc1C ZINC000219021314 646961803 /nfs/dbraw/zinc/96/18/03/646961803.db2.gz FVVCYQNIKVUUMC-CABCVRRESA-N 1 0 263.381 2.644 10 10 CFCERO Nc1ccc(N2CCC[NH+]=C2c2ccccc2)cc1 ZINC000011847812 371931567 /nfs/dbraw/zinc/93/15/67/371931567.db2.gz LEMRNIMTARCXHQ-UHFFFAOYSA-N 1 0 251.333 2.926 10 10 CFCERO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000091979280 375074963 /nfs/dbraw/zinc/07/49/63/375074963.db2.gz XSENZSXVVIVIMV-RDJZCZTQSA-N 1 0 291.391 2.934 10 10 CFCERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092708586 375142434 /nfs/dbraw/zinc/14/24/34/375142434.db2.gz FPMWMKJBUQHRMX-OAHLLOKOSA-N 1 0 290.407 2.581 10 10 CFCERO CCOc1ccc(O)c(CN(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000123439080 376954425 /nfs/dbraw/zinc/95/44/25/376954425.db2.gz YZGRQQYYAJAHHU-OAHLLOKOSA-N 1 0 292.423 2.707 10 10 CFCERO Cc1cccc(C[NH+]2CCC(c3ccnn3C)CC2)c1O ZINC000179981277 380605147 /nfs/dbraw/zinc/60/51/47/380605147.db2.gz DAAVDLBMKDGDNR-UHFFFAOYSA-N 1 0 285.391 2.814 10 10 CFCERO Cc1cccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1O ZINC000180052548 380615697 /nfs/dbraw/zinc/61/56/97/380615697.db2.gz HHBJEFBWRLHLHV-HNNXBMFYSA-N 1 0 271.364 2.771 10 10 CFCERO COc1ccc(O)c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000180373817 380649601 /nfs/dbraw/zinc/64/96/01/380649601.db2.gz OYXAZPFMKXYLSE-RHSMWYFYSA-N 1 0 291.391 2.528 10 10 CFCERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1O ZINC000184055373 381364379 /nfs/dbraw/zinc/36/43/79/381364379.db2.gz YMUXIZLXVNDCFA-LSDHHAIUSA-N 1 0 278.371 2.590 10 10 CFCERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccccc1O ZINC000185212021 381566661 /nfs/dbraw/zinc/56/66/61/381566661.db2.gz XEWVSSUIGVOUCT-SNPRPXQTSA-N 1 0 263.381 2.984 10 10 CFCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)c(O)c1 ZINC000185507573 381652959 /nfs/dbraw/zinc/65/29/59/381652959.db2.gz IXDPHZYUZYBRQI-GZBFAFLISA-N 1 0 263.381 2.902 10 10 CFCERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000186096926 381823018 /nfs/dbraw/zinc/82/30/18/381823018.db2.gz HHNJNNWKOSJEMI-SMDDNHRTSA-N 1 0 286.379 2.786 10 10 CFCERO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188410441 382409791 /nfs/dbraw/zinc/40/97/91/382409791.db2.gz FVRKOAQIQPJIBJ-CQSZACIVSA-N 1 0 291.782 2.907 10 10 CFCERO [NH3+][C@H](CC(F)F)c1cc(Br)ccc1O ZINC000575437636 382771188 /nfs/dbraw/zinc/77/11/88/382771188.db2.gz LARNZSRCDHJCSO-SSDOTTSWSA-N 1 0 266.085 2.810 10 10 CFCERO [NH3+]CCCC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000575438946 382771425 /nfs/dbraw/zinc/77/14/25/382771425.db2.gz NGIMWCVLBDMABM-JTQLQIEISA-N 1 0 263.168 2.828 10 10 CFCERO C[C@H]([NH2+]CCO)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000253495335 383461959 /nfs/dbraw/zinc/46/19/59/383461959.db2.gz WIARLQSLBTVGFI-OLZOCXBDSA-N 1 0 280.387 2.705 10 10 CFCERO CCOc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)cc1 ZINC000083457118 135023037 /nfs/dbraw/zinc/02/30/37/135023037.db2.gz VWYKGTMHHLJEKN-XJKSGUPXSA-N 1 0 262.397 2.908 10 10 CFCERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(OC)cc1 ZINC000083457321 135023292 /nfs/dbraw/zinc/02/32/92/135023292.db2.gz VQADPBSMMNVCRH-XJKSGUPXSA-N 1 0 262.397 2.908 10 10 CFCERO Cc1ccc([C@H](C)[NH2+]Cc2nnc3ccccn32)c(O)c1 ZINC000020185706 171048807 /nfs/dbraw/zinc/04/88/07/171048807.db2.gz LNIGSCIMASWTIS-LBPRGKRZSA-N 1 0 282.347 2.594 10 10 CFCERO CCCC(=O)Nc1ccc(O)c([C@H](C)[NH2+]C2CC2)c1 ZINC000021957161 171342047 /nfs/dbraw/zinc/34/20/47/171342047.db2.gz NPCBEOQNIOMEEK-JTQLQIEISA-N 1 0 262.353 2.944 10 10 CFCERO C[C@H]([NH2+]Cc1ccc(O)cc1O)c1cccc(O)c1 ZINC000037151172 172987054 /nfs/dbraw/zinc/98/70/54/172987054.db2.gz XDBJNCWPOSEYBR-JTQLQIEISA-N 1 0 259.305 2.654 10 10 CFCERO CC[NH2+][C@@H]1CCN(c2ccc(OC)c(Cl)c2)C1 ZINC000037635725 173583484 /nfs/dbraw/zinc/58/34/84/173583484.db2.gz GLNQYYVMDQETMM-SNVBAGLBSA-N 1 0 254.761 2.537 10 10 CFCERO C[C@@H](C[NH2+][C@@H](C)c1ccc(O)cc1O)N1CCCCC1 ZINC000038028556 174017193 /nfs/dbraw/zinc/01/71/93/174017193.db2.gz DTKLTVSWRDSXKD-STQMWFEESA-N 1 0 278.396 2.623 10 10 CFCERO Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)[NH2+]CC3 ZINC000003874848 275061363 /nfs/dbraw/zinc/06/13/63/275061363.db2.gz MHPQCGZBAVXCGA-GFCCVEGCSA-N 1 0 253.301 2.508 10 10 in-vitro CFCERO CC(C)N(CCO)c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062737601 519649969 /nfs/dbraw/zinc/64/99/69/519649969.db2.gz IPFUMEMVNVOYEX-UHFFFAOYSA-N 1 0 264.413 2.782 10 10 CFCERO CCN(C)CC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000054109913 520236836 /nfs/dbraw/zinc/23/68/36/520236836.db2.gz YVUFWCLTJNMTFD-UHFFFAOYSA-N 1 0 258.365 2.587 10 10 CFCERO CC(C)N(CCO)c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061697463 519649872 /nfs/dbraw/zinc/64/98/72/519649872.db2.gz NQADOQUBBWMJBZ-SNVBAGLBSA-N 1 0 256.777 2.567 10 10 CFCERO CC1(C[NH2+]Cc2c(O)ccc3ccccc32)COC1 ZINC000083523193 520734358 /nfs/dbraw/zinc/73/43/58/520734358.db2.gz UGCLVRPQYRHLSN-UHFFFAOYSA-N 1 0 257.333 2.672 10 10 CFCERO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1O ZINC000228675044 522541819 /nfs/dbraw/zinc/54/18/19/522541819.db2.gz MUNDOULEHBCCEJ-GWCFXTLKSA-N 1 0 299.798 2.695 10 10 CFCERO CC[C@@H]1CO[C@@H](C)CN1c1ccc(C[NH3+])cc1Cl ZINC000062792910 523510758 /nfs/dbraw/zinc/51/07/58/523510758.db2.gz CCMPBOAURRBKJA-CMPLNLGQSA-N 1 0 268.788 2.802 10 10 CFCERO COCCN(C)c1ccc(C[NH2+]CC(C)C)cc1C ZINC000062736979 523637739 /nfs/dbraw/zinc/63/77/39/523637739.db2.gz LOJORPDHTCNOAD-UHFFFAOYSA-N 1 0 264.413 2.823 10 10 CFCERO Cc1cc(C[NH2+]C(C)C)ccc1N(CCO)C(C)C ZINC000050561995 524749943 /nfs/dbraw/zinc/74/99/43/524749943.db2.gz UXLOLCJSFMNRMX-UHFFFAOYSA-N 1 0 264.413 2.700 10 10 CFCERO Cc1cc(C[NH2+]C(C)(C)C)ccc1N1CCOCC1 ZINC000050559706 524751463 /nfs/dbraw/zinc/75/14/63/524751463.db2.gz ZFQZVQOTUYXGMC-UHFFFAOYSA-N 1 0 262.397 2.720 10 10 CFCERO Cc1cc(C[NH2+]C(C)C)ccc1N1CCOC[C@H]1C ZINC000050560339 524751510 /nfs/dbraw/zinc/75/15/10/524751510.db2.gz FMUNNPXSEAVFHK-CQSZACIVSA-N 1 0 262.397 2.718 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N(C)CCc2ccncc2)cc1 ZINC000048260145 525026739 /nfs/dbraw/zinc/02/67/39/525026739.db2.gz XGPDMNOROQNJCS-CYBMUJFWSA-N 1 0 255.365 2.780 10 10 CFCERO Cc1cc(C(=O)N2CCC([NH3+])CC2)c(C)n1-c1ccccc1 ZINC000237678763 526238401 /nfs/dbraw/zinc/23/84/01/526238401.db2.gz YGXZODOUAZZDDE-UHFFFAOYSA-N 1 0 297.402 2.657 10 10 CFCERO Cn1nccc1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180039541 527599075 /nfs/dbraw/zinc/59/90/75/527599075.db2.gz PFFJBEVNTZFVAG-UHFFFAOYSA-N 1 0 289.354 2.644 10 10 CFCERO CC[NH2+][C@H](C)c1ccc(N2CCC(OC)CC2)cc1 ZINC000037266432 535516900 /nfs/dbraw/zinc/51/69/00/535516900.db2.gz VSNTWTBOMQYVLP-CYBMUJFWSA-N 1 0 262.397 2.972 10 10 CFCERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc2c(c1)OCO2 ZINC000083548515 535825267 /nfs/dbraw/zinc/82/52/67/535825267.db2.gz FOMGYRFXVWCJGF-TZMCWYRMSA-N 1 0 276.380 2.628 10 10 CFCERO COc1ccc(N2C[C@@H](C)[NH2+]C[C@H]2C(C)C)cc1OC ZINC000083586898 536708626 /nfs/dbraw/zinc/70/86/26/536708626.db2.gz MQAFKHRCDXSWIE-OCCSQVGLSA-N 1 0 278.396 2.527 10 10 CFCERO COc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@H]2C)cc1OC ZINC000083586644 536708938 /nfs/dbraw/zinc/70/89/38/536708938.db2.gz IGCTXGQDZWPFRE-OCCSQVGLSA-N 1 0 278.396 2.527 10 10 CFCERO COCCc1ccc(O)c([C@H]([NH3+])c2ccccc2)c1 ZINC000757147870 617825060 /nfs/dbraw/zinc/82/50/60/617825060.db2.gz ZVMXWHGTJIILPO-MRXNPFEDSA-N 1 0 257.333 2.629 10 10 CFCERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000040502647 618808817 /nfs/dbraw/zinc/80/88/17/618808817.db2.gz KIRRORABAOTSPS-KBPBESRZSA-N 1 0 262.397 2.836 10 10 CFCERO Nc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000061702156 623228689 /nfs/dbraw/zinc/22/86/89/623228689.db2.gz SQKWZEXWXQDABB-KRWDZBQOSA-N 1 0 268.360 2.922 10 10 CFCERO COc1cc(C)cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1O ZINC000247189231 650899561 /nfs/dbraw/zinc/89/95/61/650899561.db2.gz YHLSFVHEWDIYEE-HUUCEWRRSA-N 1 0 291.391 2.853 10 10 CFCERO OC1CC(C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000091424604 650900202 /nfs/dbraw/zinc/90/02/02/650900202.db2.gz NUDZIMLUSSSDHW-UHFFFAOYSA-N 1 0 274.408 2.537 10 10 CFCERO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000249613404 650964470 /nfs/dbraw/zinc/96/44/70/650964470.db2.gz KIRRORABAOTSPS-KGLIPLIRSA-N 1 0 262.397 2.836 10 10 CFCERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000249612297 650964576 /nfs/dbraw/zinc/96/45/76/650964576.db2.gz CLMGXFXOPWARKM-ZBFHGGJFSA-N 1 0 275.440 2.888 10 10 CFCERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1ccc(N(C)C)cc1 ZINC000305146164 651052258 /nfs/dbraw/zinc/05/22/58/651052258.db2.gz RVYLKBQVCLXKGX-CYBMUJFWSA-N 1 0 294.464 2.661 10 10 CFCERO N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1c1ccccc1O ZINC000096946962 185136988 /nfs/dbraw/zinc/13/69/88/185136988.db2.gz ANQQFDMYNZTMTO-WBVHZDCISA-N 1 0 268.360 2.667 10 10 CFCERO Cc1cccc(N2CCN(c3ccc(C[NH3+])cc3)CC2)c1 ZINC000019865501 136578887 /nfs/dbraw/zinc/57/88/87/136578887.db2.gz SZGLYKZRMYUYOI-UHFFFAOYSA-N 1 0 281.403 2.780 10 10 CFCERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1O ZINC000179202230 380520175 /nfs/dbraw/zinc/52/01/75/380520175.db2.gz NIIPJYOZHMBWKD-QEJZJMRPSA-N 1 0 289.375 2.698 10 10 CFCERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179572683 380558804 /nfs/dbraw/zinc/55/88/04/380558804.db2.gz AVHKPOWXKHNVFQ-OAHLLOKOSA-N 1 0 285.391 2.988 10 10 CFCERO Oc1ccc(F)cc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000180184946 380630462 /nfs/dbraw/zinc/63/04/62/380630462.db2.gz FSPCDAKWMVGWDJ-CZUORRHYSA-N 1 0 279.355 2.658 10 10 CFCERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179932146 380600362 /nfs/dbraw/zinc/60/03/62/380600362.db2.gz SXGMMRNABXHABJ-OAHLLOKOSA-N 1 0 290.407 2.581 10 10 CFCERO Oc1ccc(F)cc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000180116051 380622618 /nfs/dbraw/zinc/62/26/18/380622618.db2.gz HUPPEJJVINLONE-UHFFFAOYSA-N 1 0 289.354 2.640 10 10 CFCERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000180614518 380683403 /nfs/dbraw/zinc/68/34/03/380683403.db2.gz RQWOYMFMWYRLBT-MRXNPFEDSA-N 1 0 285.391 2.870 10 10 CFCERO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccccc1O ZINC000183606420 381293618 /nfs/dbraw/zinc/29/36/18/381293618.db2.gz VZSNHXTXAJVFBY-UONOGXRCSA-N 1 0 298.390 2.502 10 10 CFCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000185506975 381653601 /nfs/dbraw/zinc/65/36/01/381653601.db2.gz NQKKTWBYPNNDPD-GZBFAFLISA-N 1 0 263.381 2.902 10 10 CFCERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc(F)ccc1O ZINC000300416026 382063906 /nfs/dbraw/zinc/06/39/06/382063906.db2.gz DNKVFNYAYUKYEH-DOMZBBRYSA-N 1 0 278.371 2.590 10 10 CFCERO [NH3+][C@@H](CC(F)F)c1ccc(Br)cc1O ZINC000575437661 382771247 /nfs/dbraw/zinc/77/12/47/382771247.db2.gz MTCZDWVDVWGIFJ-ZETCQYMHSA-N 1 0 266.085 2.810 10 10 CFCERO COc1cccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1O ZINC000282247645 385259179 /nfs/dbraw/zinc/25/91/79/385259179.db2.gz OKKZQFLJEQOLAJ-RYUDHWBXSA-N 1 0 279.380 2.694 10 10 CFCERO COc1ccc(N2C[C@H](C)[NH2+]C[C@H]2C(C)C)cc1OC ZINC000083586900 135030130 /nfs/dbraw/zinc/03/01/30/135030130.db2.gz MQAFKHRCDXSWIE-JSGCOSHPSA-N 1 0 278.396 2.527 10 10 CFCERO CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1O)N(C)C ZINC000020145616 171030866 /nfs/dbraw/zinc/03/08/66/171030866.db2.gz PYVUGHXVRVMIMP-OCCSQVGLSA-N 1 0 250.386 2.629 10 10 CFCERO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3ccccn32)c(O)c1 ZINC000020185704 171048613 /nfs/dbraw/zinc/04/86/13/171048613.db2.gz LNIGSCIMASWTIS-GFCCVEGCSA-N 1 0 282.347 2.594 10 10 CFCERO C=COCCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000020197390 171061285 /nfs/dbraw/zinc/06/12/85/171061285.db2.gz BAGDDQMRZAFMRA-LLVKDONJSA-N 1 0 251.326 2.602 10 10 CFCERO CC(C)N(Cc1ccncc1)c1ccc(C[NH3+])cc1 ZINC000034655276 171849190 /nfs/dbraw/zinc/84/91/90/171849190.db2.gz UHIZXXBIZKTRGJ-UHFFFAOYSA-N 1 0 255.365 2.955 10 10 CFCERO CC[C@@H](C)C[N@H+](C)[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000037172662 173006905 /nfs/dbraw/zinc/00/69/05/173006905.db2.gz FYUKRKRYNVYITL-CJNGLKHVSA-N 1 0 263.429 2.730 10 10 CFCERO CN(C)c1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000070070274 276884044 /nfs/dbraw/zinc/88/40/44/276884044.db2.gz WGNNBJOPOHYONN-INIZCTEOSA-N 1 0 268.360 2.976 10 10 CFCERO CC[NH2+]CC(C)(C)CN(C)c1ccc(OC)cc1 ZINC000051253173 519912082 /nfs/dbraw/zinc/91/20/82/519912082.db2.gz NYGCNFLNFWYEQS-UHFFFAOYSA-N 1 0 250.386 2.767 10 10 CFCERO CC[NH2+]C[C@@H]1CCN(c2ccc(OC(C)C)cc2)C1 ZINC000053013165 519951510 /nfs/dbraw/zinc/95/15/10/519951510.db2.gz NAKXHKZTVHIRKZ-AWEZNQCLSA-N 1 0 262.397 2.910 10 10 CFCERO CC[NH2+][C@H](C)c1ccc(N(CC)CCO)c(Cl)c1 ZINC000061695961 520177632 /nfs/dbraw/zinc/17/76/32/520177632.db2.gz IPTGIXOWDYSWOG-LLVKDONJSA-N 1 0 270.804 2.829 10 10 CFCERO C[NH2+]Cc1ccc(N(C)[C@H]2CCSC2)cc1C ZINC000050582013 522120055 /nfs/dbraw/zinc/12/00/55/522120055.db2.gz PHRMHQDKTIKGMO-AWEZNQCLSA-N 1 0 250.411 2.656 10 10 CFCERO Cc1cccc(CC[NH2+]Cc2ccc(O)cc2O)c1 ZINC000051668890 524363812 /nfs/dbraw/zinc/36/38/12/524363812.db2.gz FRLPLLISUWHJSQ-UHFFFAOYSA-N 1 0 257.333 2.739 10 10 CFCERO COc1ccc(N2CC[C@H](C[NH2+]C(C)C)C2)cc1OC ZINC000053011219 524441042 /nfs/dbraw/zinc/44/10/42/524441042.db2.gz OWVIEXIKQJFYQW-CYBMUJFWSA-N 1 0 278.396 2.528 10 10 CFCERO C[C@H]([NH3+])c1ccc(N(C)C2CCOCC2)c(Cl)c1 ZINC000061695738 524863635 /nfs/dbraw/zinc/86/36/35/524863635.db2.gz FHLXOFYJAKGYEA-JTQLQIEISA-N 1 0 268.788 2.975 10 10 CFCERO COc1ccc(N2CC[NH2+]C[C@@H]2C(C)C)cc1Cl ZINC000083511946 536705243 /nfs/dbraw/zinc/70/52/43/536705243.db2.gz AITIZUWYHAZPAW-CYBMUJFWSA-N 1 0 268.788 2.783 10 10 CFCERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(C)cc(C)c1O ZINC000164445057 618688638 /nfs/dbraw/zinc/68/86/38/618688638.db2.gz PRGOGUYDDVBUFL-INIZCTEOSA-N 1 0 276.424 2.925 10 10 CFCERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000040502519 649984869 /nfs/dbraw/zinc/98/48/69/649984869.db2.gz WSAZNLFKKRHREV-KBPBESRZSA-N 1 0 262.397 2.836 10 10 CFCERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000040502270 649985052 /nfs/dbraw/zinc/98/50/52/649985052.db2.gz SGLWSPXKALMHKR-QWHCGFSZSA-N 1 0 278.396 2.536 10 10 CFCERO CC[C@@H]([NH2+]CCn1cc(C)cn1)c1ccc(N(C)C)cc1 ZINC000124055490 641764957 /nfs/dbraw/zinc/76/49/57/641764957.db2.gz RWKOKHWLOZKTPU-QGZVFWFLSA-N 1 0 286.423 2.998 10 10 CFCERO C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](C)O1 ZINC000126871807 643705960 /nfs/dbraw/zinc/70/59/60/643705960.db2.gz GONMVFISQSHVCE-NXEZZACHSA-N 1 0 255.745 2.655 10 10 CFCERO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cc1C ZINC000219021232 646961748 /nfs/dbraw/zinc/96/17/48/646961748.db2.gz FVVCYQNIKVUUMC-HUUCEWRRSA-N 1 0 263.381 2.644 10 10 CFCERO CC[NH2+]Cc1ccc(N(CC)CCOCC)cc1 ZINC000104202932 185928857 /nfs/dbraw/zinc/92/88/57/185928857.db2.gz MVVHQHHCKANSBR-UHFFFAOYSA-N 1 0 250.386 2.659 10 10 CFCERO Nc1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000053996637 373492747 /nfs/dbraw/zinc/49/27/47/373492747.db2.gz HVYXXSBUWTZKRL-UHFFFAOYSA-N 1 0 285.366 2.730 10 10 CFCERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092708587 375142247 /nfs/dbraw/zinc/14/22/47/375142247.db2.gz FPMWMKJBUQHRMX-HNNXBMFYSA-N 1 0 290.407 2.581 10 10 CFCERO COc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1O ZINC000092810909 375159137 /nfs/dbraw/zinc/15/91/37/375159137.db2.gz MHPGLMWCIUONOJ-UHFFFAOYSA-N 1 0 287.363 2.504 10 10 CFCERO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000124834356 377095306 /nfs/dbraw/zinc/09/53/06/377095306.db2.gz LMHOKIGZVYTVKE-ZWNOBZJWSA-N 1 0 269.772 2.686 10 10 CFCERO Oc1ccccc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000179575676 380561209 /nfs/dbraw/zinc/56/12/09/380561209.db2.gz YHVZJYKAWYSTLS-CQSZACIVSA-N 1 0 257.337 2.843 10 10 CFCERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)cn1 ZINC000180074356 380618566 /nfs/dbraw/zinc/61/85/66/380618566.db2.gz GUFNXHZIRFNNMO-AWEZNQCLSA-N 1 0 275.327 2.602 10 10 CFCERO COc1cc(Br)cc([C@@H]([NH3+])CCF)c1O ZINC000575437854 382771180 /nfs/dbraw/zinc/77/11/80/382771180.db2.gz BLABDRDRHQVLAM-QMMMGPOBSA-N 1 0 278.121 2.523 10 10 CFCERO C[N@H+]1Cc2ccccc2N[C@@H](c2ccc(O)c(O)c2)C1 ZINC000199561033 382772053 /nfs/dbraw/zinc/77/20/53/382772053.db2.gz MCVVDPDRJKBMRV-CQSZACIVSA-N 1 0 270.332 2.696 10 10 CFCERO C[C@H]1CC(C[NH2+]Cc2ccc3c(c2)CCO3)C[C@H](C)O1 ZINC000282180892 385240049 /nfs/dbraw/zinc/24/00/49/385240049.db2.gz KBBBPBJNBSRRHH-STQMWFEESA-N 1 0 275.392 2.915 10 10 CFCERO Cc1ccccc1C[NH+]1CCN(c2ccc(N)cc2)CC1 ZINC000008030950 393467371 /nfs/dbraw/zinc/46/73/71/393467371.db2.gz VXWZZULIAGMJJJ-UHFFFAOYSA-N 1 0 281.403 2.899 10 10 CFCERO CN(C)c1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000122042497 393964134 /nfs/dbraw/zinc/96/41/34/393964134.db2.gz MWNDUMZZVZFJFI-UHFFFAOYSA-N 1 0 298.434 2.861 10 10 CFCERO CCCO[C@@H]1CCCN(c2ccc(C[NH3+])cc2F)C1 ZINC000042408101 134889139 /nfs/dbraw/zinc/88/91/39/134889139.db2.gz WQXOCDOHKFXCPL-CYBMUJFWSA-N 1 0 266.360 2.680 10 10 CFCERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccc(OC)c(Cl)c1 ZINC000083511901 135025705 /nfs/dbraw/zinc/02/57/05/135025705.db2.gz PPLDJAGGNQQULU-QWRGUYRKSA-N 1 0 268.788 2.925 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1cc(O)ccc1O ZINC000020121348 171000103 /nfs/dbraw/zinc/00/01/03/171000103.db2.gz RHNFWECFBZOVFT-WDEREUQCSA-N 1 0 258.321 2.905 10 10 CFCERO Oc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)c(O)c1 ZINC000020122481 171002602 /nfs/dbraw/zinc/00/26/02/171002602.db2.gz DSXDMOUKXDXIGO-UHFFFAOYSA-N 1 0 282.343 2.911 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(O)cc1O ZINC000020127620 171012875 /nfs/dbraw/zinc/01/28/75/171012875.db2.gz YCSPHRVHNLKWGI-WDEREUQCSA-N 1 0 258.321 2.905 10 10 CFCERO Oc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1O ZINC000020129690 171018133 /nfs/dbraw/zinc/01/81/33/171018133.db2.gz YFIAXGZCGFPWTM-CQSZACIVSA-N 1 0 255.317 2.875 10 10 CFCERO C=COCCC[NH2+][C@H](C)c1ccc(OC)cc1O ZINC000020197807 171061987 /nfs/dbraw/zinc/06/19/87/171061987.db2.gz KFZNFEBEVFDDDH-LLVKDONJSA-N 1 0 251.326 2.602 10 10 CFCERO CCN(c1ccc([C@H](C)[NH2+]C)cc1)[C@@H](C)COC ZINC000042769098 174870809 /nfs/dbraw/zinc/87/08/09/174870809.db2.gz KZTDYBFMOWPCFU-STQMWFEESA-N 1 0 250.386 2.828 10 10 CFCERO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297685668 280411459 /nfs/dbraw/zinc/41/14/59/280411459.db2.gz LSAHDHHLWYKCIP-MJBXVCDLSA-N 1 0 261.365 2.520 10 10 CFCERO CC[NH2+]Cc1ccc(N2CCCO[C@H](C)C2)c(C)c1 ZINC000061920025 519998087 /nfs/dbraw/zinc/99/80/87/519998087.db2.gz SUQRKQHNEAGQQJ-CQSZACIVSA-N 1 0 262.397 2.720 10 10 CFCERO CCC[NH2+]Cc1ccc(N(CCC)CCO)c(C)c1 ZINC000050561267 519950844 /nfs/dbraw/zinc/95/08/44/519950844.db2.gz WVCVTWSDYILUGE-UHFFFAOYSA-N 1 0 264.413 2.703 10 10 CFCERO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000089165660 520904426 /nfs/dbraw/zinc/90/44/26/520904426.db2.gz YJGNVGQWEQHVEU-NVXWUHKLSA-N 1 0 276.424 2.783 10 10 CFCERO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1 ZINC000089165657 520905282 /nfs/dbraw/zinc/90/52/82/520905282.db2.gz YJGNVGQWEQHVEU-RDJZCZTQSA-N 1 0 276.424 2.783 10 10 CFCERO CCN(c1ccc(C[NH2+]C)c(C)c1)[C@H](C)COC ZINC000050584553 521488167 /nfs/dbraw/zinc/48/81/67/521488167.db2.gz FDQXUMUFUQZQDK-CYBMUJFWSA-N 1 0 250.386 2.576 10 10 CFCERO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COC(C)(C)C ZINC000076074447 521690200 /nfs/dbraw/zinc/69/02/00/521690200.db2.gz ZADNXARCZSYAMR-OAHLLOKOSA-N 1 0 295.423 2.780 10 10 CFCERO CN(C)CC[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000211512379 521748162 /nfs/dbraw/zinc/74/81/62/521748162.db2.gz QKXDLOWAKTYXOO-UHFFFAOYSA-N 1 0 258.365 2.539 10 10 CFCERO CC[C@@H](C)N(CCOC)c1ccc(C[NH3+])c(C)c1 ZINC000050584399 522095746 /nfs/dbraw/zinc/09/57/46/522095746.db2.gz VSKVZYKCGGYTCD-CYBMUJFWSA-N 1 0 250.386 2.705 10 10 CFCERO CC[C@@H](O)CC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000127387762 522988665 /nfs/dbraw/zinc/98/86/65/522988665.db2.gz MPMAIMFDGUZKDU-CYBMUJFWSA-N 1 0 259.349 2.796 10 10 CFCERO CN(Cc1cccnc1)c1ccc(C[NH3+])c(Cl)c1 ZINC000061845706 523421192 /nfs/dbraw/zinc/42/11/92/523421192.db2.gz MYWLDOXSXUJWAQ-UHFFFAOYSA-N 1 0 261.756 2.830 10 10 CFCERO COc1ccc(N2CC[C@H](C[NH2+]C(C)(C)C)C2)cc1 ZINC000053010094 524441356 /nfs/dbraw/zinc/44/13/56/524441356.db2.gz DWPUOOONXZPKFI-CYBMUJFWSA-N 1 0 262.397 2.910 10 10 CFCERO COc1ccc(N2CC[C@H](C[NH2+]CC(C)C)C2)c(OC)c1 ZINC000053011729 524441627 /nfs/dbraw/zinc/44/16/27/524441627.db2.gz WAXPVKAOIPHANY-CQSZACIVSA-N 1 0 292.423 2.776 10 10 CFCERO Cc1cc(N(C)CCc2ccccn2)ccc1C[NH3+] ZINC000050581561 525025824 /nfs/dbraw/zinc/02/58/24/525025824.db2.gz MXWSTTLHTKNBCQ-UHFFFAOYSA-N 1 0 255.365 2.528 10 10 CFCERO C[C@@H]1CN(c2ccc(C[NH2+]C(C)(C)C)cc2)CCO1 ZINC000062734445 525065087 /nfs/dbraw/zinc/06/50/87/525065087.db2.gz APFNTZTXYYORCY-CYBMUJFWSA-N 1 0 262.397 2.800 10 10 CFCERO Cc1cc(N2CCOCC2)ccc1C[NH2+]C(C)(C)C ZINC000050580966 525086322 /nfs/dbraw/zinc/08/63/22/525086322.db2.gz NYBCLCNFHSKRCJ-UHFFFAOYSA-N 1 0 262.397 2.720 10 10 CFCERO COc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1O ZINC000245687398 525952357 /nfs/dbraw/zinc/95/23/57/525952357.db2.gz AWOVAXRUPXRDRI-YOEHRIQHSA-N 1 0 291.391 2.528 10 10 CFCERO Oc1ccc2ccccc2c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000096810812 526356629 /nfs/dbraw/zinc/35/66/29/526356629.db2.gz CLFIZTAOSMFFKF-OAHLLOKOSA-N 1 0 282.387 2.825 10 10 CFCERO CCOc1ccc(N2CC[NH2+]C[C@@H]2CC)cc1OCC ZINC000083586682 535734652 /nfs/dbraw/zinc/73/46/52/535734652.db2.gz DZCPBCGIMZPGPR-ZDUSSCGKSA-N 1 0 278.396 2.672 10 10 CFCERO CC[C@@H]([NH2+][C@H]1CCCN(CC)C1)c1ccccc1O ZINC000040502300 618195992 /nfs/dbraw/zinc/19/59/92/618195992.db2.gz ZTGCISKXTILPDG-DZGCQCFKSA-N 1 0 262.397 2.917 10 10 CFCERO C[NH2+][C@H](C)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000261830208 619285330 /nfs/dbraw/zinc/28/53/30/619285330.db2.gz VIGYFIKJDYZHMB-CYBMUJFWSA-N 1 0 299.418 2.740 10 10 CFCERO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000042880462 621544629 /nfs/dbraw/zinc/54/46/29/621544629.db2.gz PLYIOFUGKAOGLA-LLVKDONJSA-N 1 0 251.326 2.645 10 10 CFCERO C[C@H]([NH3+])c1ccc(N2CCO[C@H](C)C2)c(Cl)c1 ZINC000103966746 136525307 /nfs/dbraw/zinc/52/53/07/136525307.db2.gz OMZJAJPYEIJQHV-ZJUUUORDSA-N 1 0 254.761 2.585 10 10 CFCERO [NH3+]C[C@@H](Sc1nccs1)C(F)(F)C(F)(F)F ZINC000616571325 352372266 /nfs/dbraw/zinc/37/22/66/352372266.db2.gz WUMWFYCSPGRJJL-SCSAIBSYSA-N 1 0 278.271 2.760 10 10 CFCERO Nc1ccc(N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000058387065 373652540 /nfs/dbraw/zinc/65/25/40/373652540.db2.gz BGWCYMGSMOHUJC-UHFFFAOYSA-N 1 0 259.397 2.724 10 10 CFCERO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)c1nccs1 ZINC000116380386 376181962 /nfs/dbraw/zinc/18/19/62/376181962.db2.gz XKIJYDRRBCTQCV-UHFFFAOYSA-N 1 0 292.360 2.602 10 10 CFCERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1O ZINC000248403515 383236314 /nfs/dbraw/zinc/23/63/14/383236314.db2.gz YMUXIZLXVNDCFA-GJZGRUSLSA-N 1 0 278.371 2.590 10 10 CFCERO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(F)ccc2O)C[C@H](C)O1 ZINC000281337900 385189485 /nfs/dbraw/zinc/18/94/85/385189485.db2.gz SKHCVSPZOALXLS-ZSBIGDGJSA-N 1 0 267.344 2.825 10 10 CFCERO C[C@@H]1CC(C[NH2+]Cc2ccc3c(c2)CCO3)C[C@@H](C)O1 ZINC000282180890 385240104 /nfs/dbraw/zinc/24/01/04/385240104.db2.gz KBBBPBJNBSRRHH-CHWSQXEVSA-N 1 0 275.392 2.915 10 10 CFCERO CCC[NH2+]Cc1ccc(N2CCSCC2)c(F)c1 ZINC000034824414 134782780 /nfs/dbraw/zinc/78/27/80/134782780.db2.gz FVDPVNWGVABHMI-UHFFFAOYSA-N 1 0 268.401 2.879 10 10 CFCERO CCCO[C@H]1CCCN(c2ccc(C[NH3+])cc2F)C1 ZINC000042408102 134889219 /nfs/dbraw/zinc/88/92/19/134889219.db2.gz WQXOCDOHKFXCPL-ZDUSSCGKSA-N 1 0 266.360 2.680 10 10 CFCERO CC(C)[C@H]1C[NH2+]CCN1c1ccc(OC(F)F)cc1 ZINC000083517177 135026045 /nfs/dbraw/zinc/02/60/45/135026045.db2.gz YMRQNTVPTODDAY-CYBMUJFWSA-N 1 0 270.323 2.722 10 10 CFCERO CC(C)[C@@H]1C[NH2+]CCN1c1ccc(OC(F)F)cc1 ZINC000083517175 135026051 /nfs/dbraw/zinc/02/60/51/135026051.db2.gz YMRQNTVPTODDAY-ZDUSSCGKSA-N 1 0 270.323 2.722 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1cccnc1 ZINC000020127681 171013311 /nfs/dbraw/zinc/01/33/11/171013311.db2.gz GEBISASRXFQNQR-MNOVXSKESA-N 1 0 258.321 2.905 10 10 CFCERO Oc1ccc(C[NH2+][C@@H]2CCc3ccccc32)c(O)c1 ZINC000020129710 171018011 /nfs/dbraw/zinc/01/80/11/171018011.db2.gz BBHORAKBMYCNDR-OAHLLOKOSA-N 1 0 255.317 2.875 10 10 CFCERO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc3ccccn32)c1 ZINC000035628915 172308393 /nfs/dbraw/zinc/30/83/93/172308393.db2.gz YWVVYEVDUVTURJ-GFCCVEGCSA-N 1 0 282.347 2.594 10 10 CFCERO Oc1ccc(C[NH2+]C[C@H]2Cc3ccccc32)cc1O ZINC000037565290 173513056 /nfs/dbraw/zinc/51/30/56/173513056.db2.gz CVNJQXSPTDSVJZ-CYBMUJFWSA-N 1 0 255.317 2.527 10 10 CFCERO c1cc(N2CCCC2)ccc1C[NH2+]C[C@H]1CCCOC1 ZINC000038044901 174052788 /nfs/dbraw/zinc/05/27/88/174052788.db2.gz VJWYKDJOTHOTLE-MRXNPFEDSA-N 1 0 274.408 2.803 10 10 CFCERO C[C@H](N(C)c1ccc2c(c1)NC(=O)[C@@H]2[NH3+])C(C)(C)C ZINC000042768757 174869866 /nfs/dbraw/zinc/86/98/66/174869866.db2.gz NGMWBRUDLNWCCG-TVQRCGJNSA-N 1 0 261.369 2.509 10 10 CFCERO [NH3+]Cc1ccc(N2C[C@H]3[C@@H](C2)[C@H]2C=C[C@@H]3CC2)cc1 ZINC000072236213 176345688 /nfs/dbraw/zinc/34/56/88/176345688.db2.gz XIKYULBJJLXXRK-MDBPOYHNSA-N 1 0 254.377 2.794 10 10 CFCERO CC[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000050581080 519998016 /nfs/dbraw/zinc/99/80/16/519998016.db2.gz OMHKQVFXAYSFQS-KBPBESRZSA-N 1 0 262.397 2.718 10 10 CFCERO CCC[NH2+]Cc1ccc(N2CCCOCC2)cc1C ZINC000061920208 519949550 /nfs/dbraw/zinc/94/95/50/519949550.db2.gz DLUZRRHXFGOPTB-UHFFFAOYSA-N 1 0 262.397 2.721 10 10 CFCERO CCOc1cccc(CN(C)C[C@H]2CCC[N@@H+]2CC)c1O ZINC000156084806 521330163 /nfs/dbraw/zinc/33/01/63/521330163.db2.gz AUSRDZDDHJNAQT-OAHLLOKOSA-N 1 0 292.423 2.707 10 10 CFCERO C[NH2+]Cc1ccc(N(CCOC)CC(C)C)cc1C ZINC000050584056 522119431 /nfs/dbraw/zinc/11/94/31/522119431.db2.gz YMWWGOLWBOONGF-UHFFFAOYSA-N 1 0 264.413 2.823 10 10 CFCERO C[NH2+]Cc1ccc(N(C)Cc2ccccn2)c(C)c1 ZINC000050560397 522120143 /nfs/dbraw/zinc/12/01/43/522120143.db2.gz ZEIOHLBNZRWVEW-UHFFFAOYSA-N 1 0 255.365 2.746 10 10 CFCERO CC[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccccc1O ZINC000156277466 522949331 /nfs/dbraw/zinc/94/93/31/522949331.db2.gz HQABLXPOBVTTRW-OLZOCXBDSA-N 1 0 272.352 2.560 10 10 CFCERO COc1ccccc1N[C@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000057595730 524647378 /nfs/dbraw/zinc/64/73/78/524647378.db2.gz RZSZEORSVODCLL-MRXNPFEDSA-N 1 0 285.391 2.873 10 10 CFCERO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000273609594 525358903 /nfs/dbraw/zinc/35/89/03/525358903.db2.gz VHSWNXUTZUURAY-RISCZKNCSA-N 1 0 251.370 2.758 10 10 CFCERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cc(F)ccc1O ZINC000273621318 525405687 /nfs/dbraw/zinc/40/56/87/525405687.db2.gz ZBKCQIAXRXFZGC-ZANVPECISA-N 1 0 255.333 2.589 10 10 CFCERO [NH3+]Cc1ccc(N2CCO[C@@H]3CCC[C@@H]32)cc1Cl ZINC000061846263 527255662 /nfs/dbraw/zinc/25/56/62/527255662.db2.gz RBXPDGRKRFZHBH-UONOGXRCSA-N 1 0 266.772 2.556 10 10 CFCERO C[NH+](C)CCCOc1cc2c3c(c1)CCCN3CCC2 ZINC000033898239 535838981 /nfs/dbraw/zinc/83/89/81/535838981.db2.gz DGYCBFVDHAKILO-UHFFFAOYSA-N 1 0 274.408 2.716 10 10 CFCERO CC[C@H]1CN(c2ccc(OC(F)F)cc2)[C@H](C)C[NH2+]1 ZINC000083517137 536160572 /nfs/dbraw/zinc/16/05/72/536160572.db2.gz AQKZFYQIEQIOPB-MNOVXSKESA-N 1 0 270.323 2.865 10 10 CFCERO CC[C@H]1CN(c2ccc(OC(F)(F)F)cc2)CC[NH2+]1 ZINC000083540457 536160626 /nfs/dbraw/zinc/16/06/26/536160626.db2.gz XBEONXDYNSDLMN-JTQLQIEISA-N 1 0 274.286 2.773 10 10 CFCERO C[C@@H](O)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000160246738 617687463 /nfs/dbraw/zinc/68/74/63/617687463.db2.gz WORRZTBKKJULSW-CYBMUJFWSA-N 1 0 289.419 2.864 10 10 CFCERO COCCc1ccc(O)c([C@@H]([NH3+])c2ccccc2)c1 ZINC000757147864 617825002 /nfs/dbraw/zinc/82/50/02/617825002.db2.gz ZVMXWHGTJIILPO-INIZCTEOSA-N 1 0 257.333 2.629 10 10 CFCERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000178712531 618341441 /nfs/dbraw/zinc/34/14/41/618341441.db2.gz GELMJSDSAXHVGD-CZUORRHYSA-N 1 0 291.439 2.522 10 10 CFCERO CN1CCCc2cc(C[NH2+]C[C@H](O)C(C)(C)C)ccc21 ZINC000324644454 624185668 /nfs/dbraw/zinc/18/56/68/624185668.db2.gz YKTDOZOMZHOFAW-INIZCTEOSA-N 1 0 276.424 2.566 10 10 CFCERO C[NH+](C)[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000170843132 624957171 /nfs/dbraw/zinc/95/71/71/624957171.db2.gz YAWRHMCWUPECBS-AWEZNQCLSA-N 1 0 292.423 2.531 10 10 CFCERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C)ccc1O ZINC000248398594 650932789 /nfs/dbraw/zinc/93/27/89/650932789.db2.gz NNYNWRKWYUBTHR-HOTGVXAUSA-N 1 0 274.408 2.759 10 10 CFCERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000249612294 650964660 /nfs/dbraw/zinc/96/46/60/650964660.db2.gz CLMGXFXOPWARKM-GDBMZVCRSA-N 1 0 275.440 2.888 10 10 CFCERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186096387 282101233 /nfs/dbraw/zinc/10/12/33/282101233.db2.gz TZXIHNCDTBZBTA-FZMZJTMJSA-N 1 0 286.379 2.786 10 10 CFCERO CCO[C@@H]1CCCN(c2ccc([C@H](C)[NH3+])cc2F)C1 ZINC000103963239 136553630 /nfs/dbraw/zinc/55/36/30/136553630.db2.gz CHCOZOOGUXOLEP-WCQYABFASA-N 1 0 266.360 2.851 10 10 CFCERO Fc1cc(N2CC[NH2+]CC2)ccc1OCc1ccccc1 ZINC000059569854 346657287 /nfs/dbraw/zinc/65/72/87/346657287.db2.gz LATGJLANZVOFHA-UHFFFAOYSA-N 1 0 286.350 2.814 10 10 CFCERO Oc1ccccc1C[NH2+]Cc1sncc1Br ZINC000669379884 540360543 /nfs/dbraw/zinc/36/05/43/540360543.db2.gz LQWIEXYLWUOBQR-UHFFFAOYSA-N 1 0 299.193 2.901 10 10 CFCERO Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000053996638 373492471 /nfs/dbraw/zinc/49/24/71/373492471.db2.gz XDPZVAGZHIBTDJ-UHFFFAOYSA-N 1 0 285.366 2.730 10 10 CFCERO Cn1cc([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000128434614 377336157 /nfs/dbraw/zinc/33/61/57/377336157.db2.gz MVWKDQJOQLNLTQ-LLVKDONJSA-N 1 0 291.782 2.769 10 10 CFCERO Cn1cc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000128434835 377336545 /nfs/dbraw/zinc/33/65/45/377336545.db2.gz MVWKDQJOQLNLTQ-NSHDSACASA-N 1 0 291.782 2.769 10 10 CFCERO CCOc1ccc(O)c(C[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000131409025 377707133 /nfs/dbraw/zinc/70/71/33/377707133.db2.gz FVBLGXMRDGOUDS-NSHDSACASA-N 1 0 267.394 2.728 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1nnc2n1CCCC2 ZINC000183536564 381285523 /nfs/dbraw/zinc/28/55/23/381285523.db2.gz ITSHVCMONKMNLI-NWDGAFQWSA-N 1 0 286.379 2.732 10 10 CFCERO COc1cc(Br)cc([C@@H]([NH3+])CC(F)F)c1O ZINC000575437630 382770957 /nfs/dbraw/zinc/77/09/57/382770957.db2.gz KUFYAIKLRBGCAC-ZETCQYMHSA-N 1 0 296.111 2.818 10 10 CFCERO CC[C@@H]1C[NH2+]CCN1c1ccc(OC)c(Cl)c1 ZINC000083407812 135019463 /nfs/dbraw/zinc/01/94/63/135019463.db2.gz MIUFMUCJQKSYOZ-SNVBAGLBSA-N 1 0 254.761 2.537 10 10 CFCERO C[C@H](C[NH2+]Cc1ccc(O)cc1O)c1ccccc1 ZINC000020137078 171024661 /nfs/dbraw/zinc/02/46/61/171024661.db2.gz LLBKOWZBKMAVBZ-GFCCVEGCSA-N 1 0 257.333 2.991 10 10 CFCERO CCCCN(CC)c1ccc2c(c1)NC(=O)[C@H]2[NH2+]C ZINC000036193788 172505221 /nfs/dbraw/zinc/50/52/21/172505221.db2.gz SOWGYTRWZFHUGM-AWEZNQCLSA-N 1 0 261.369 2.526 10 10 CFCERO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1cc(O)ccc1O ZINC000038028428 174017535 /nfs/dbraw/zinc/01/75/35/174017535.db2.gz WKXOJOVXMBIBJZ-QWHCGFSZSA-N 1 0 278.396 2.623 10 10 CFCERO C[C@H](C[NH2+][C@H](C)c1cc(O)ccc1O)N1CCCCC1 ZINC000038028429 174017643 /nfs/dbraw/zinc/01/76/43/174017643.db2.gz WKXOJOVXMBIBJZ-CHWSQXEVSA-N 1 0 278.396 2.623 10 10 CFCERO CC[C@H](c1cc(Br)ccc1O)N1CC[NH2+]CC1 ZINC000038086710 174097844 /nfs/dbraw/zinc/09/78/44/174097844.db2.gz KQXJXSAUHMVUGU-GFCCVEGCSA-N 1 0 299.212 2.511 10 10 CFCERO C[N@H+](CCc1ccc(O)c(O)c1)Cc1ccccc1 ZINC000039645960 174171430 /nfs/dbraw/zinc/17/14/30/174171430.db2.gz NMQATHCJCXVJBT-UHFFFAOYSA-N 1 0 257.333 2.772 10 10 CFCERO CCN(CC)c1ccc([C@@H](CN)[NH+](CC)CC)cc1 ZINC000039789110 174173211 /nfs/dbraw/zinc/17/32/11/174173211.db2.gz YHCMYBALQPDTBK-MRXNPFEDSA-N 1 0 263.429 2.874 10 10 CFCERO Cc1cnn(CC[NH2+][C@@H](C)c2cc(C)ccc2O)c1 ZINC000185842744 262309878 /nfs/dbraw/zinc/30/98/78/262309878.db2.gz CZBOCCCUYAFPKF-ZDUSSCGKSA-N 1 0 259.353 2.556 10 10 CFCERO CCC[NH2+]Cc1ccc(N(C)[C@H](C)COC)c(C)c1 ZINC000050561681 519950070 /nfs/dbraw/zinc/95/00/70/519950070.db2.gz ABLUERIDUCYNFA-CQSZACIVSA-N 1 0 264.413 2.966 10 10 CFCERO CCC[NH2+][C@@H](C)c1ccc(N(C)CCO)c(Cl)c1 ZINC000061695934 519989318 /nfs/dbraw/zinc/98/93/18/519989318.db2.gz CFQQVGAADADFSV-NSHDSACASA-N 1 0 270.804 2.829 10 10 CFCERO C[NH2+]Cc1ccc(N(C)C[C@H]2CCCCO2)cc1C ZINC000050583549 522119318 /nfs/dbraw/zinc/11/93/18/522119318.db2.gz ZJNXKWPFBICTME-MRXNPFEDSA-N 1 0 262.397 2.720 10 10 CFCERO COC1CCN(c2ccc([C@@H](C)[NH3+])cc2Cl)CC1 ZINC000061695028 522710525 /nfs/dbraw/zinc/71/05/25/522710525.db2.gz YMHZOOXOCXKUQC-SNVBAGLBSA-N 1 0 268.788 2.975 10 10 CFCERO CC[C@H](C)N(C)c1ccc(C[NH2+]CCOC)cc1 ZINC000062735404 523924311 /nfs/dbraw/zinc/92/43/11/523924311.db2.gz TTYOHCQWDFNJQP-ZDUSSCGKSA-N 1 0 250.386 2.657 10 10 CFCERO Cc1cccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1O ZINC000228174452 524403028 /nfs/dbraw/zinc/40/30/28/524403028.db2.gz RGGZQQILVNXGJS-HUUCEWRRSA-N 1 0 261.365 2.844 10 10 CFCERO C[C@H]1CN(c2ccc(C[NH2+]C(C)(C)C)cc2)CCO1 ZINC000062734446 524667889 /nfs/dbraw/zinc/66/78/89/524667889.db2.gz APFNTZTXYYORCY-ZDUSSCGKSA-N 1 0 262.397 2.800 10 10 CFCERO Cc1cc(C[NH2+]C(C)C)ccc1N1CCO[C@H](C)C1 ZINC000050559823 524751620 /nfs/dbraw/zinc/75/16/20/524751620.db2.gz OHHXDWFDKBFYFL-CQSZACIVSA-N 1 0 262.397 2.718 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N2CCO[C@H](C)C2)c(Cl)c1 ZINC000061694061 525027675 /nfs/dbraw/zinc/02/76/75/525027675.db2.gz OMZJAJPYEIJQHV-NXEZZACHSA-N 1 0 254.761 2.585 10 10 CFCERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000178712543 618341026 /nfs/dbraw/zinc/34/10/26/618341026.db2.gz GELMJSDSAXHVGD-XJKSGUPXSA-N 1 0 291.439 2.522 10 10 CFCERO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000309923190 618894853 /nfs/dbraw/zinc/89/48/53/618894853.db2.gz UCZUDTDAFIKQKJ-HRDYMLBCSA-N 1 0 288.185 2.575 10 10 CFCERO COc1cc(C)cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1O ZINC000164141860 622940002 /nfs/dbraw/zinc/94/00/02/622940002.db2.gz YHLSFVHEWDIYEE-LSDHHAIUSA-N 1 0 291.391 2.853 10 10 CFCERO Cc1cc(Br)cc([C@@H]([NH3+])C2CC2)c1O ZINC000095706892 650975692 /nfs/dbraw/zinc/97/56/92/650975692.db2.gz FWBQXONZZJWACK-JTQLQIEISA-N 1 0 256.143 2.873 10 10 CFCERO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)cc1C ZINC000219021394 646961774 /nfs/dbraw/zinc/96/17/74/646961774.db2.gz FVVCYQNIKVUUMC-LSDHHAIUSA-N 1 0 263.381 2.644 10 10 CFCERO [NH3+]Cc1ccc2c(c1)OCCN2Cc1ccccc1 ZINC000074338413 136484622 /nfs/dbraw/zinc/48/46/22/136484622.db2.gz SJKSFQXJZKQMCB-UHFFFAOYSA-N 1 0 254.333 2.544 10 10 CFCERO CC[C@@H]1CO[C@H](C)CN1c1ccc([C@H](C)[NH3+])cc1F ZINC000103964122 136553786 /nfs/dbraw/zinc/55/37/86/136553786.db2.gz MBQMGYJKPHNYHP-NTZNESFSSA-N 1 0 266.360 2.849 10 10 CFCERO CC(=O)Nc1ccc(O)c(C[NH2+]C2CCCCC2)c1 ZINC000584591254 348682214 /nfs/dbraw/zinc/68/22/14/348682214.db2.gz ZWFVMJXMEAGRFT-UHFFFAOYSA-N 1 0 262.353 2.773 10 10 CFCERO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)CC2 ZINC000297631832 200247546 /nfs/dbraw/zinc/24/75/46/200247546.db2.gz JIQFVWWKOOVWBM-MGPQQGTHSA-N 1 0 261.365 2.520 10 10 CFCERO COc1cccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1O ZINC000093438319 375235470 /nfs/dbraw/zinc/23/54/70/375235470.db2.gz WWPRPQXYTUATMO-AWEZNQCLSA-N 1 0 287.363 2.851 10 10 CFCERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000180614539 380683498 /nfs/dbraw/zinc/68/34/98/380683498.db2.gz RQWOYMFMWYRLBT-INIZCTEOSA-N 1 0 285.391 2.870 10 10 CFCERO COc1cc(Cl)cc(C[N@@H+]2CCS[C@@H](C)C2)c1O ZINC000184688444 381460445 /nfs/dbraw/zinc/46/04/45/381460445.db2.gz NDXXYHRBEICFPB-VIFPVBQESA-N 1 0 287.812 2.992 10 10 CFCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)c1 ZINC000185507229 381653727 /nfs/dbraw/zinc/65/37/27/381653727.db2.gz KZAVLKPBLNVYCZ-ZOWXZIJZSA-N 1 0 279.380 2.603 10 10 CFCERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186096340 381822736 /nfs/dbraw/zinc/82/27/36/381822736.db2.gz TZXIHNCDTBZBTA-BXUZGUMPSA-N 1 0 286.379 2.786 10 10 CFCERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186096357 381822829 /nfs/dbraw/zinc/82/28/29/381822829.db2.gz TZXIHNCDTBZBTA-SMDDNHRTSA-N 1 0 286.379 2.786 10 10 CFCERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186096940 381823570 /nfs/dbraw/zinc/82/35/70/381823570.db2.gz HHNJNNWKOSJEMI-RISCZKNCSA-N 1 0 286.379 2.786 10 10 CFCERO COc1cc(Br)cc([C@H]([NH3+])CCF)c1O ZINC000575438003 382771065 /nfs/dbraw/zinc/77/10/65/382771065.db2.gz BLABDRDRHQVLAM-MRVPVSSYSA-N 1 0 278.121 2.523 10 10 CFCERO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@H]1N(C)C ZINC000251671071 383392878 /nfs/dbraw/zinc/39/28/78/383392878.db2.gz HJPJXSRDNBLFNK-SUMWQHHRSA-N 1 0 284.403 2.927 10 10 CFCERO Cc1cccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000281416493 385193710 /nfs/dbraw/zinc/19/37/10/385193710.db2.gz YRVWLUJGDGDTCQ-BTTYYORXSA-N 1 0 263.381 2.994 10 10 CFCERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000105437287 393863920 /nfs/dbraw/zinc/86/39/20/393863920.db2.gz MRBYIDVMYJZNCR-GMSGAONNSA-N 1 0 256.143 2.653 10 10 CFCERO Cc1ccc(O)c(C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000120321713 393933152 /nfs/dbraw/zinc/93/31/52/393933152.db2.gz FATXWWFMMSULOJ-UHFFFAOYSA-N 1 0 298.390 2.567 10 10 CFCERO CC[C@@H]1CN(c2ccc(OC)c(OC)c2)[C@@H](CC)C[NH2+]1 ZINC000083586820 135030123 /nfs/dbraw/zinc/03/01/23/135030123.db2.gz FCOKLKYZELSKLL-OLZOCXBDSA-N 1 0 278.396 2.671 10 10 CFCERO CN(C)C[C@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000020129301 171016990 /nfs/dbraw/zinc/01/69/90/171016990.db2.gz QHYXOICRVAWYNW-INIZCTEOSA-N 1 0 270.376 2.785 10 10 CFCERO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000037242403 173058881 /nfs/dbraw/zinc/05/88/81/173058881.db2.gz BQYOFNLSIKPMEQ-IOASZLSFSA-N 1 0 262.397 2.971 10 10 CFCERO COC[C@H](C)N(C)c1ccc(C[NH2+]C(C)C)cc1 ZINC000042519047 174770075 /nfs/dbraw/zinc/77/00/75/174770075.db2.gz HDMWRVNKGLZXBK-ZDUSSCGKSA-N 1 0 250.386 2.656 10 10 CFCERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1O ZINC000246207847 277369207 /nfs/dbraw/zinc/36/92/07/277369207.db2.gz NIIPJYOZHMBWKD-CFVMTHIKSA-N 1 0 289.375 2.698 10 10 CFCERO CCC[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2C)C1 ZINC000061568077 519922997 /nfs/dbraw/zinc/92/29/97/519922997.db2.gz QVZYDHFRVCESPW-AWEZNQCLSA-N 1 0 262.397 2.830 10 10 CFCERO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1ccccc1O ZINC000049195655 519814786 /nfs/dbraw/zinc/81/47/86/519814786.db2.gz PFCHXTUZAGPKDK-OCCSQVGLSA-N 1 0 250.386 2.629 10 10 CFCERO CCC[NH2+]Cc1ccc(N(C)CCCOC)cc1C ZINC000062033039 519950321 /nfs/dbraw/zinc/95/03/21/519950321.db2.gz LXDGJLDRZHMJHZ-UHFFFAOYSA-N 1 0 264.413 2.967 10 10 CFCERO COC[C@@H](C)C[NH2+]Cc1c(O)ccc2ccccc21 ZINC000045656490 522202859 /nfs/dbraw/zinc/20/28/59/522202859.db2.gz AWHNWDAVKOSUQQ-LBPRGKRZSA-N 1 0 259.349 2.918 10 10 CFCERO CC[C@H](C)N(CCOC)c1ccc(C[NH3+])c(C)c1 ZINC000050584400 523939656 /nfs/dbraw/zinc/93/96/56/523939656.db2.gz VSKVZYKCGGYTCD-ZDUSSCGKSA-N 1 0 250.386 2.705 10 10 CFCERO COCC[NH2+]Cc1ccc(N(C)C(C)C)c(C)c1 ZINC000062734557 523951631 /nfs/dbraw/zinc/95/16/31/523951631.db2.gz HTJDNJLSQKEWAA-UHFFFAOYSA-N 1 0 250.386 2.576 10 10 CFCERO COc1ccc(N2C[C@H](C)C[NH2+]C[C@H](C)C2)c(C)c1 ZINC000061568998 524448715 /nfs/dbraw/zinc/44/87/15/524448715.db2.gz KHUFHHISORZVGR-BETUJISGSA-N 1 0 262.397 2.685 10 10 CFCERO C[C@@H](CCO)C[NH2+]Cc1c(O)ccc2ccccc21 ZINC000097435910 524507758 /nfs/dbraw/zinc/50/77/58/524507758.db2.gz HAKLVXVEDBEPJP-LBPRGKRZSA-N 1 0 259.349 2.654 10 10 CFCERO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000245861586 524746963 /nfs/dbraw/zinc/74/69/63/524746963.db2.gz OYXAZPFMKXYLSE-YOEHRIQHSA-N 1 0 291.391 2.528 10 10 CFCERO Cc1cc(C[NH2+]C(C)C)ccc1N1CCOC[C@@H]1C ZINC000050560337 524750079 /nfs/dbraw/zinc/75/00/79/524750079.db2.gz FMUNNPXSEAVFHK-AWEZNQCLSA-N 1 0 262.397 2.718 10 10 CFCERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cc(F)ccc1O ZINC000094617009 525523636 /nfs/dbraw/zinc/52/36/36/525523636.db2.gz HBDNJSJOIQIDRO-BHDSKKPTSA-N 1 0 253.317 2.749 10 10 CFCERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000120553514 525636794 /nfs/dbraw/zinc/63/67/94/525636794.db2.gz IOZHDULGZAWDTQ-HUBLWGQQSA-N 1 0 278.371 2.721 10 10 CFCERO CC[C@H]1CN(c2ccc(OC)cc2OC)[C@@H](CC)C[NH2+]1 ZINC000083586816 536160692 /nfs/dbraw/zinc/16/06/92/536160692.db2.gz UCZIAFILXHJJEI-STQMWFEESA-N 1 0 278.396 2.671 10 10 CFCERO COc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@H]2C)c(OC)c1 ZINC000083586634 536708801 /nfs/dbraw/zinc/70/88/01/536708801.db2.gz USWXWQZAYYEUHV-OCCSQVGLSA-N 1 0 278.396 2.527 10 10 CFCERO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000077204535 618150822 /nfs/dbraw/zinc/15/08/22/618150822.db2.gz KSMNDIMXTQBHRH-GWCFXTLKSA-N 1 0 269.772 2.686 10 10 CFCERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cc(F)ccc1O ZINC000094617791 619132421 /nfs/dbraw/zinc/13/24/21/619132421.db2.gz BFQLZGXQAHJPHL-JQWIXIFHSA-N 1 0 253.317 2.751 10 10 CFCERO COc1cc(Br)cc([C@H]([NH3+])C(C)C)c1O ZINC000095660184 619164944 /nfs/dbraw/zinc/16/49/44/619164944.db2.gz LOAANITWUYVLQY-SNVBAGLBSA-N 1 0 274.158 2.819 10 10 CFCERO CCN1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000040502276 649984885 /nfs/dbraw/zinc/98/48/85/649984885.db2.gz WOQCZVIDRDCFJG-CYBMUJFWSA-N 1 0 268.788 2.620 10 10 CFCERO CCN(CC)c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245769468 650834442 /nfs/dbraw/zinc/83/44/42/650834442.db2.gz RLKQAYBRPQFIHV-SFHVURJKSA-N 1 0 287.451 2.813 10 10 CFCERO Oc1ccc(Br)cc1[C@H]1CCCC[NH2+]1 ZINC000096884352 185120275 /nfs/dbraw/zinc/12/02/75/185120275.db2.gz KZPUZXACQMCMAR-SNVBAGLBSA-N 1 0 256.143 2.969 10 10 CFCERO CCC[NH+](CCC)Cc1ccc(NC(C)=O)cc1O ZINC000141699157 347932072 /nfs/dbraw/zinc/93/20/72/347932072.db2.gz BSURVCCYEUAFMA-UHFFFAOYSA-N 1 0 264.369 2.973 10 10 CFCERO Nc1ccc(Br)c([C@H]2CCCC[NH2+]2)c1O ZINC000308774955 348405237 /nfs/dbraw/zinc/40/52/37/348405237.db2.gz YNRVKOGWRNVOND-SECBINFHSA-N 1 0 271.158 2.552 10 10 CFCERO CN(CC1CCOCC1)c1ccc(C[NH3+])cc1Cl ZINC000104199641 185928327 /nfs/dbraw/zinc/92/83/27/185928327.db2.gz NRCFWYDFNCIHGN-UHFFFAOYSA-N 1 0 268.788 2.662 10 10 CFCERO C[NH2+][C@@H](C)CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000261830211 283652572 /nfs/dbraw/zinc/65/25/72/283652572.db2.gz VIGYFIKJDYZHMB-ZDUSSCGKSA-N 1 0 299.418 2.740 10 10 CFCERO Oc1ccc2c(c1O)CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000013604046 372036605 /nfs/dbraw/zinc/03/66/05/372036605.db2.gz CVDKFLYPLGVMEO-AWEZNQCLSA-N 1 0 269.344 2.745 10 10 CFCERO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000131939698 377781162 /nfs/dbraw/zinc/78/11/62/377781162.db2.gz OUBALTNSWQDZQI-OAHLLOKOSA-N 1 0 271.364 2.771 10 10 CFCERO Cc1cccc(C[N@H+]2C[C@@H]3CCCCN3C[C@@H]2C)c1O ZINC000158034112 378663203 /nfs/dbraw/zinc/66/32/03/378663203.db2.gz NCFFDXXULYWNOM-HOCLYGCPSA-N 1 0 274.408 2.759 10 10 CFCERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccccc1O ZINC000185211990 381567044 /nfs/dbraw/zinc/56/70/44/381567044.db2.gz XEWVSSUIGVOUCT-VHDGCEQUSA-N 1 0 263.381 2.984 10 10 CFCERO [NH3+]CCCC[C@H]([NH3+])c1c([O-])cc(Cl)cc1Cl ZINC000575439584 382771455 /nfs/dbraw/zinc/77/14/55/382771455.db2.gz TTZFJKVIKIZQKY-VIFPVBQESA-N 1 0 263.168 2.828 10 10 CFCERO C[NH2+]Cc1ccc(N2CCc3ccccc3C2)cc1 ZINC000034823762 134782191 /nfs/dbraw/zinc/78/21/91/134782191.db2.gz LWBAWCLPMDKQHD-UHFFFAOYSA-N 1 0 252.361 2.969 10 10 CFCERO CC[C@@H]1CN(c2ccc3c(c2)OCO3)[C@H](C(C)C)C[NH2+]1 ZINC000083548539 135029621 /nfs/dbraw/zinc/02/96/21/135029621.db2.gz SSNRRTDGXDKAKN-OCCSQVGLSA-N 1 0 276.380 2.628 10 10 CFCERO COc1ccc(N2C[C@H](C)[NH2+]C[C@H]2C(C)C)c(OC)c1 ZINC000083586896 135030092 /nfs/dbraw/zinc/03/00/92/135030092.db2.gz MWJJGEHZBFACDA-WFASDCNBSA-N 1 0 278.396 2.527 10 10 CFCERO C[C@H](Cc1cccs1)[NH2+]Cc1ccc(O)c(O)c1 ZINC000035254115 172083444 /nfs/dbraw/zinc/08/34/44/172083444.db2.gz AXMORSKZZILAAX-SNVBAGLBSA-N 1 0 263.362 2.880 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000037242399 173058555 /nfs/dbraw/zinc/05/85/55/173058555.db2.gz BQYOFNLSIKPMEQ-WWGRRREGSA-N 1 0 262.397 2.971 10 10 CFCERO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)N1CCC(C)CC1 ZINC000040165712 174197806 /nfs/dbraw/zinc/19/78/06/174197806.db2.gz CMDGUWAJHIKDJY-MRXNPFEDSA-N 1 0 289.467 2.963 10 10 CFCERO COCCN(CC(C)C)c1ccc([C@H](C)[NH3+])cc1 ZINC000042369537 174700234 /nfs/dbraw/zinc/70/02/34/174700234.db2.gz BUCCOSKRYAKWHA-ZDUSSCGKSA-N 1 0 250.386 2.815 10 10 CFCERO CCN(c1ccc([C@@H](C)[NH2+]C)cc1)[C@@H](C)COC ZINC000042769092 174870751 /nfs/dbraw/zinc/87/07/51/174870751.db2.gz KZTDYBFMOWPCFU-QWHCGFSZSA-N 1 0 250.386 2.828 10 10 CFCERO Cc1nc(CN(C)c2ccc(C[NH3+])cc2F)cs1 ZINC000044594920 175214912 /nfs/dbraw/zinc/21/49/12/175214912.db2.gz MJWKCGJEFCFIMH-UHFFFAOYSA-N 1 0 265.357 2.686 10 10 CFCERO NC(=[NH2+])c1cc(F)ccc1CSc1nccs1 ZINC000071268432 176102495 /nfs/dbraw/zinc/10/24/95/176102495.db2.gz VCRNAYVGDUHNPC-UHFFFAOYSA-N 1 0 267.354 2.859 10 10 CFCERO Cc1cnn(CC[NH2+][C@H](C)c2cc(C)ccc2O)c1 ZINC000185842725 262310000 /nfs/dbraw/zinc/31/00/00/262310000.db2.gz CZBOCCCUYAFPKF-CYBMUJFWSA-N 1 0 259.353 2.556 10 10 CFCERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc2ccccc2c1O ZINC000091424521 334378003 /nfs/dbraw/zinc/37/80/03/334378003.db2.gz GDSGSHOVUUNJNB-DCBWTQNWSA-N 1 0 271.360 2.967 10 10 CFCERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000049195648 519793871 /nfs/dbraw/zinc/79/38/71/519793871.db2.gz PFCHXTUZAGPKDK-GXTWGEPZSA-N 1 0 250.386 2.629 10 10 CFCERO CC(C)[C@@H](C[NH+](C)C)Nc1c(N)cccc1Cl ZINC000049194954 519793921 /nfs/dbraw/zinc/79/39/21/519793921.db2.gz GEDONMHXGRAINU-GFCCVEGCSA-N 1 0 255.793 2.920 10 10 CFCERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(C)ccc1O ZINC000156082257 521651901 /nfs/dbraw/zinc/65/19/01/521651901.db2.gz DEEMVVPPPDLWKP-HNNXBMFYSA-N 1 0 262.397 2.617 10 10 CFCERO CCCN(CCO)c1ccc(C[NH2+]CC(C)C)cc1 ZINC000062736942 521668402 /nfs/dbraw/zinc/66/84/02/521668402.db2.gz YFBYFVJYYVKGAW-UHFFFAOYSA-N 1 0 264.413 2.641 10 10 CFCERO CN(CCc1ccccn1)c1ccc(C[NH3+])cc1Cl ZINC000062792840 522965651 /nfs/dbraw/zinc/96/56/51/522965651.db2.gz PTLRLLJYNYMBRZ-UHFFFAOYSA-N 1 0 275.783 2.873 10 10 CFCERO COc1ccc(N2CC[C@@H](C[NH2+]C(C)C)C2)cc1OC ZINC000053011217 524441318 /nfs/dbraw/zinc/44/13/18/524441318.db2.gz OWVIEXIKQJFYQW-ZDUSSCGKSA-N 1 0 278.396 2.528 10 10 CFCERO COc1cccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1O ZINC000282247655 526012845 /nfs/dbraw/zinc/01/28/45/526012845.db2.gz OKKZQFLJEQOLAJ-VXGBXAGGSA-N 1 0 279.380 2.694 10 10 CFCERO Cc1nc(CN(C)c2ccc(C[NH3+])c(C)c2)cs1 ZINC000050584705 526847871 /nfs/dbraw/zinc/84/78/71/526847871.db2.gz QXNOLNRFQIVZOD-UHFFFAOYSA-N 1 0 261.394 2.855 10 10 CFCERO CCO[C@H]1CCCN(c2ccc([C@@H](C)[NH2+]C)cc2)C1 ZINC000042422873 535621067 /nfs/dbraw/zinc/62/10/67/535621067.db2.gz IGKYSSVQSLMGMS-CJNGLKHVSA-N 1 0 262.397 2.972 10 10 CFCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000179670875 624971451 /nfs/dbraw/zinc/97/14/51/624971451.db2.gz ZNEXPFLQLSDNDG-LSKLOWJMSA-N 1 0 299.370 2.710 10 10 CFCERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c(O)cccc1Cl ZINC000156083650 650042301 /nfs/dbraw/zinc/04/23/01/650042301.db2.gz ZZYRSWGGJRUQEY-GFCCVEGCSA-N 1 0 282.815 2.962 10 10 CFCERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(Cl)ccc1O ZINC000156081885 650042872 /nfs/dbraw/zinc/04/28/72/650042872.db2.gz BXCBLURGCDAADR-CQSZACIVSA-N 1 0 282.815 2.962 10 10 CFCERO COc1cc(C)cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1O ZINC000247189219 650899516 /nfs/dbraw/zinc/89/95/16/650899516.db2.gz YHLSFVHEWDIYEE-CABCVRRESA-N 1 0 291.391 2.853 10 10 CFCERO COc1ccc(C[NH2+]Cc2ccc(C)cn2)cc1C ZINC000134267079 646317434 /nfs/dbraw/zinc/31/74/34/646317434.db2.gz OHQUYMSVGIBTDX-UHFFFAOYSA-N 1 0 256.349 2.997 10 10 CFCERO C[NH2+][C@H](C)c1ccc(N(C)C)c(Br)c1 ZINC000061694505 346681573 /nfs/dbraw/zinc/68/15/73/346681573.db2.gz VPPAPIDOYCDHIY-MRVPVSSYSA-N 1 0 257.175 2.796 10 10 CFCERO COc1ccc(N(C)CCC[NH3+])cc1C(C)(C)C ZINC000107294875 186168315 /nfs/dbraw/zinc/16/83/15/186168315.db2.gz XFVAQSJJWLKMIX-UHFFFAOYSA-N 1 0 250.386 2.778 10 10 CFCERO COc1ccc(N2CC[NH2+][C@H](C)CC2)cc1Br ZINC000675059340 540645740 /nfs/dbraw/zinc/64/57/40/540645740.db2.gz OOPCXHJLQLBRQR-SNVBAGLBSA-N 1 0 299.212 2.646 10 10 CFCERO Oc1cc2c(cc1O)C[C@H]([NH2+]Cc1ccccc1)CC2 ZINC000013604050 372036458 /nfs/dbraw/zinc/03/64/58/372036458.db2.gz YOZGWJXSKNAAGL-OAHLLOKOSA-N 1 0 269.344 2.745 10 10 CFCERO CC(C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000020549730 372239609 /nfs/dbraw/zinc/23/96/09/372239609.db2.gz VCLDPQPBRGQFKY-LBPRGKRZSA-N 1 0 266.360 2.721 10 10 CFCERO CC(C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000020549732 372240292 /nfs/dbraw/zinc/24/02/92/372240292.db2.gz VCLDPQPBRGQFKY-GFCCVEGCSA-N 1 0 266.360 2.721 10 10 CFCERO CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000091978579 375073374 /nfs/dbraw/zinc/07/33/74/375073374.db2.gz DVRGRFFHYSBGTG-DLBZAZTESA-N 1 0 274.408 2.896 10 10 CFCERO Cc1cccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1O ZINC000124552877 377063195 /nfs/dbraw/zinc/06/31/95/377063195.db2.gz RGGZQQILVNXGJS-LSDHHAIUSA-N 1 0 261.365 2.844 10 10 CFCERO Cc1cccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1O ZINC000124552643 377063486 /nfs/dbraw/zinc/06/34/86/377063486.db2.gz RGGZQQILVNXGJS-GJZGRUSLSA-N 1 0 261.365 2.844 10 10 CFCERO Cn1nccc1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179567606 380558405 /nfs/dbraw/zinc/55/84/05/380558405.db2.gz QSGXFFVFNQSKNJ-UHFFFAOYSA-N 1 0 271.364 2.505 10 10 CFCERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C)c1O ZINC000182076228 380985921 /nfs/dbraw/zinc/98/59/21/380985921.db2.gz BYZDKRLFMLHAAQ-JKSUJKDBSA-N 1 0 274.408 2.759 10 10 CFCERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297685657 381569554 /nfs/dbraw/zinc/56/95/54/381569554.db2.gz LSAHDHHLWYKCIP-IHRRRGAJSA-N 1 0 261.365 2.520 10 10 CFCERO Oc1c(F)cccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000378498240 382473974 /nfs/dbraw/zinc/47/39/74/382473974.db2.gz PUTDFGAGCHXUFI-AWEZNQCLSA-N 1 0 278.371 2.592 10 10 CFCERO CCC[NH2+][C@@H](C)c1ccc(N(CCO)C(C)C)cc1 ZINC000042479791 184553540 /nfs/dbraw/zinc/55/35/40/184553540.db2.gz XNHRFPGRMXDGMO-AWEZNQCLSA-N 1 0 264.413 2.954 10 10 CFCERO Oc1c(F)cccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000378498242 285380466 /nfs/dbraw/zinc/38/04/66/285380466.db2.gz PUTDFGAGCHXUFI-CQSZACIVSA-N 1 0 278.371 2.592 10 10 CFCERO Cc1nn(-c2ccccc2)c2c1C(=O)C(=[N+]=N)C(C)(C)C2 ZINC000096298987 393818712 /nfs/dbraw/zinc/81/87/12/393818712.db2.gz KKMVBVNIZXLZJX-UHFFFAOYSA-N 1 0 281.339 2.626 10 10 CFCERO COc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@H]2C)cc1OC ZINC000083586648 135030184 /nfs/dbraw/zinc/03/01/84/135030184.db2.gz IGCTXGQDZWPFRE-TZMCWYRMSA-N 1 0 278.396 2.527 10 10 CFCERO C[C@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1ccccn1 ZINC000020123396 171004044 /nfs/dbraw/zinc/00/40/44/171004044.db2.gz BNNNYGALCCNGCW-QWRGUYRKSA-N 1 0 258.321 2.905 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1ccccn1 ZINC000020123395 171004334 /nfs/dbraw/zinc/00/43/34/171004334.db2.gz BNNNYGALCCNGCW-WDEREUQCSA-N 1 0 258.321 2.905 10 10 CFCERO Oc1ccc2ccccc2c1C[NH2+]CCN1CCCC1 ZINC000020126797 171010980 /nfs/dbraw/zinc/01/09/80/171010980.db2.gz AXKGHEYYMAPXPT-UHFFFAOYSA-N 1 0 270.376 2.731 10 10 CFCERO CCN(CC(F)(F)F)c1ccc(C[NH2+]C)cc1F ZINC000042777327 174874313 /nfs/dbraw/zinc/87/43/13/174874313.db2.gz YROICDTVGLIXKS-UHFFFAOYSA-N 1 0 264.266 2.934 10 10 CFCERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(C)cc2O)c1 ZINC000185843536 262309889 /nfs/dbraw/zinc/30/98/89/262309889.db2.gz JHNWHUSGZJSQHP-ZDUSSCGKSA-N 1 0 259.353 2.556 10 10 CFCERO CCN1C(=O)/C(=C/C=C2/CCC[N@@H+]2CC)SC1=S ZINC000100326590 276152310 /nfs/dbraw/zinc/15/23/10/276152310.db2.gz KKACEFKPAJPBRW-DEFDFUCDSA-N 1 0 282.434 2.750 10 10 CFCERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1cc(Cl)ccc1O ZINC000049196119 519793817 /nfs/dbraw/zinc/79/38/17/519793817.db2.gz VJVDPEDVSMTNAU-CYBMUJFWSA-N 1 0 270.804 2.721 10 10 CFCERO CC(C)N(CCO)c1ccc([C@H](C)[NH3+])cc1Cl ZINC000061697464 519649834 /nfs/dbraw/zinc/64/98/34/519649834.db2.gz NQADOQUBBWMJBZ-JTQLQIEISA-N 1 0 256.777 2.567 10 10 CFCERO CC(C)[C@H](CN(C)C)[NH2+]Cc1cc(Cl)ccc1O ZINC000049196122 519814525 /nfs/dbraw/zinc/81/45/25/519814525.db2.gz VJVDPEDVSMTNAU-ZDUSSCGKSA-N 1 0 270.804 2.721 10 10 CFCERO CC[C@H]1CO[C@H](C)CN1c1ccc(C[NH3+])cc1Cl ZINC000062792909 523354142 /nfs/dbraw/zinc/35/41/42/523354142.db2.gz CCMPBOAURRBKJA-PWSUYJOCSA-N 1 0 268.788 2.802 10 10 CFCERO C[C@@H](C[NH2+]Cc1cccc(F)c1[O-])C[NH+]1CCCCC1 ZINC000165032001 524742282 /nfs/dbraw/zinc/74/22/82/524742282.db2.gz LEAGKOWZBCUPDW-ZDUSSCGKSA-N 1 0 280.387 2.743 10 10 CFCERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccc(OC(F)F)cc1 ZINC000049710367 525247563 /nfs/dbraw/zinc/24/75/63/525247563.db2.gz VLMLHYIZXCEVAA-ZJUUUORDSA-N 1 0 256.296 2.604 10 10 CFCERO Cc1ccc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000042879869 525730472 /nfs/dbraw/zinc/73/04/72/525730472.db2.gz JIGPVUVNDXDKIE-SNVBAGLBSA-N 1 0 275.304 2.873 10 10 CFCERO COc1ccccc1C[N@H+](C)CCOc1ccc(N)cc1 ZINC000038602052 346338800 /nfs/dbraw/zinc/33/88/00/346338800.db2.gz PBLUOBGALDQKIO-UHFFFAOYSA-N 1 0 286.375 2.788 10 10 CFCERO C[NH2+]CCC=C1c2ccccc2[C@@H](O)[C@@H](O)c2ccccc21 ZINC000022057722 372243657 /nfs/dbraw/zinc/24/36/57/372243657.db2.gz GKBCRWFSVWNWQQ-KDURUIRLSA-N 1 0 295.382 2.808 10 10 in-vitro CFCERO CN(C)c1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810634 375159324 /nfs/dbraw/zinc/15/93/24/375159324.db2.gz DVHRCXDZDUKHDG-UHFFFAOYSA-N 1 0 284.407 2.855 10 10 CFCERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179583363 380559990 /nfs/dbraw/zinc/55/99/90/380559990.db2.gz IFRHSAJQABQXSA-OAHLLOKOSA-N 1 0 271.364 2.562 10 10 CFCERO Cc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1O ZINC000179981680 380605053 /nfs/dbraw/zinc/60/50/53/380605053.db2.gz IEBKCVUMDHAWQC-UHFFFAOYSA-N 1 0 271.364 2.803 10 10 CFCERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cc(F)ccc1O ZINC000185508021 381652976 /nfs/dbraw/zinc/65/29/76/381652976.db2.gz OSMIGGLBKYAVTI-MISXGVKJSA-N 1 0 267.344 2.733 10 10 CFCERO C[C@@H]1CC(C[NH2+]Cc2cc(F)ccc2O)C[C@@H](C)O1 ZINC000281337895 385188966 /nfs/dbraw/zinc/18/89/66/385188966.db2.gz SKHCVSPZOALXLS-GHMZBOCLSA-N 1 0 267.344 2.825 10 10 CFCERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c(O)c1 ZINC000273359522 385678457 /nfs/dbraw/zinc/67/84/57/385678457.db2.gz AFALEOOXLVRLJU-BXUZGUMPSA-N 1 0 251.370 2.758 10 10 CFCERO Cc1cccc(C[NH+]2CCN(c3ccc(N)cc3)CC2)c1 ZINC000008030953 393468375 /nfs/dbraw/zinc/46/83/75/393468375.db2.gz ZQANTFYHBKPXCL-UHFFFAOYSA-N 1 0 281.403 2.899 10 10 CFCERO CCC[NH2+]Cc1ccc(N2CCOC[C@@H]2CC)cc1 ZINC000036327411 134819740 /nfs/dbraw/zinc/81/97/40/134819740.db2.gz PYXFXIOHHGVYDH-HNNXBMFYSA-N 1 0 262.397 2.801 10 10 CFCERO COc1cc(OC)cc([C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000011737564 170438155 /nfs/dbraw/zinc/43/81/55/170438155.db2.gz OYEKTWUDRHQREY-QGZVFWFLSA-N 1 0 286.375 2.818 10 10 CFCERO Oc1ccc(C[NH2+]CCCc2ccccc2)c(O)c1 ZINC000020122704 171003754 /nfs/dbraw/zinc/00/37/54/171003754.db2.gz RUXWOKASXQVKMV-UHFFFAOYSA-N 1 0 257.333 2.820 10 10 CFCERO C[C@@H]([NH2+][C@H](C)c1cc(O)ccc1O)c1ccccn1 ZINC000020123472 171005003 /nfs/dbraw/zinc/00/50/03/171005003.db2.gz OZOYNXNWSWMWSY-GHMZBOCLSA-N 1 0 258.321 2.905 10 10 CFCERO Oc1ccc(C[NH2+][C@H]2CCc3ccccc32)c(O)c1 ZINC000020129711 171017860 /nfs/dbraw/zinc/01/78/60/171017860.db2.gz BBHORAKBMYCNDR-HNNXBMFYSA-N 1 0 255.317 2.875 10 10 CFCERO C[C@@H]1CCC[N@H+](CCCC(=O)Nc2ccc(N)cc2)C1 ZINC000022154908 171361819 /nfs/dbraw/zinc/36/18/19/171361819.db2.gz QDBQNBWMAGDMKD-CYBMUJFWSA-N 1 0 275.396 2.719 10 10 CFCERO C[C@@H]1CCCC[N@@H+]1[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000022162384 171364570 /nfs/dbraw/zinc/36/45/70/171364570.db2.gz JZDUDZVKVXVECM-CJNGLKHVSA-N 1 0 261.413 2.627 10 10 CFCERO C[NH2+][C@@H](C)c1ccc(N(C)Cc2ccncc2)cc1 ZINC000036776384 172692880 /nfs/dbraw/zinc/69/28/80/172692880.db2.gz LLRSCKCINTXPCX-ZDUSSCGKSA-N 1 0 255.365 2.998 10 10 CFCERO C[C@H](C[NH2+][C@H](C)c1ccc(O)cc1O)N1CCCCC1 ZINC000038028559 174017469 /nfs/dbraw/zinc/01/74/69/174017469.db2.gz DTKLTVSWRDSXKD-CHWSQXEVSA-N 1 0 278.396 2.623 10 10 CFCERO COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)c(O)c1 ZINC000038095961 174110031 /nfs/dbraw/zinc/11/00/31/174110031.db2.gz QMBGUXLQQWNHKC-NEPJUHHUSA-N 1 0 265.353 2.621 10 10 CFCERO COc1cccc([C@@H](C[NH3+])Sc2nccs2)c1 ZINC000043032995 174949046 /nfs/dbraw/zinc/94/90/46/174949046.db2.gz CPLUXPCJCVJBMU-LLVKDONJSA-N 1 0 266.391 2.944 10 10 CFCERO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1nnc2n1CCCC2 ZINC000183536526 289995210 /nfs/dbraw/zinc/99/52/10/289995210.db2.gz ITSHVCMONKMNLI-RYUDHWBXSA-N 1 0 286.379 2.732 10 10 CFCERO Cc1cc(C(=O)NCC[C@H](C)[NH3+])c(C)n1-c1ccccc1C ZINC000178694646 301132521 /nfs/dbraw/zinc/13/25/21/301132521.db2.gz ZDZDZBAMRFTWKW-ZDUSSCGKSA-N 1 0 299.418 2.870 10 10 CFCERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(C)ccc1O ZINC000156082135 521631081 /nfs/dbraw/zinc/63/10/81/521631081.db2.gz DEEMVVPPPDLWKP-OAHLLOKOSA-N 1 0 262.397 2.617 10 10 CFCERO CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccccc1O ZINC000156709978 522714875 /nfs/dbraw/zinc/71/48/75/522714875.db2.gz DTNKXSRBKHMTHG-UONOGXRCSA-N 1 0 286.379 2.868 10 10 CFCERO C[C@H](CCCO)[NH2+]Cc1c(O)ccc2ccccc21 ZINC000094941993 524147771 /nfs/dbraw/zinc/14/77/71/524147771.db2.gz RKZRBBGNIUPICN-GFCCVEGCSA-N 1 0 259.349 2.796 10 10 CFCERO C[C@H](CC[NH2+]Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000222081957 524194078 /nfs/dbraw/zinc/19/40/78/524194078.db2.gz XFQBYSCYCGYSFR-GFCCVEGCSA-N 1 0 294.395 2.785 10 10 CFCERO C[C@H](C[NH2+]Cc1cccc(F)c1[O-])C[NH+]1CCCCC1 ZINC000165032108 524487627 /nfs/dbraw/zinc/48/76/27/524487627.db2.gz LEAGKOWZBCUPDW-CYBMUJFWSA-N 1 0 280.387 2.743 10 10 CFCERO C[C@H]([NH3+])c1ccc(N(C)Cc2cnn(C)c2)c(Cl)c1 ZINC000061696883 524864520 /nfs/dbraw/zinc/86/45/20/524864520.db2.gz UWDASCZFHWBCOZ-JTQLQIEISA-N 1 0 278.787 2.730 10 10 CFCERO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cc(F)ccc1O ZINC000273621314 525494159 /nfs/dbraw/zinc/49/41/59/525494159.db2.gz ZBKCQIAXRXFZGC-RNCFNFMXSA-N 1 0 255.333 2.589 10 10 CFCERO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245967974 526350202 /nfs/dbraw/zinc/35/02/02/526350202.db2.gz NPINTIQFINFXQE-UKRRQHHQSA-N 1 0 265.328 2.675 10 10 CFCERO Oc1ccc(F)cc1C[NH2+][C@@H]1COc2ccccc21 ZINC000226607616 526352014 /nfs/dbraw/zinc/35/20/14/526352014.db2.gz BMFKHQABBWITMS-CYBMUJFWSA-N 1 0 259.280 2.755 10 10 CFCERO Oc1cccc(C[NH2+]Cc2ccc(F)cc2F)c1O ZINC000051017007 526360957 /nfs/dbraw/zinc/36/09/57/526360957.db2.gz BHJPUIKUVFTYMT-UHFFFAOYSA-N 1 0 265.259 2.666 10 10 CFCERO [NH3+]Cc1ccc(N2CCCC[C@H]2CCO)c(Cl)c1 ZINC000062792824 527255104 /nfs/dbraw/zinc/25/51/04/527255104.db2.gz RWRBAOCHTWQWAY-LBPRGKRZSA-N 1 0 268.788 2.540 10 10 CFCERO CCO[C@H]1CCCN(c2ccc([C@H](C)[NH3+])cc2F)C1 ZINC000103963244 535621769 /nfs/dbraw/zinc/62/17/69/535621769.db2.gz CHCOZOOGUXOLEP-AAEUAGOBSA-N 1 0 266.360 2.851 10 10 CFCERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(C)c(C)cc1O ZINC000177159993 618358973 /nfs/dbraw/zinc/35/89/73/618358973.db2.gz NJMIPZMHFURFIU-INIZCTEOSA-N 1 0 276.424 2.925 10 10 CFCERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(C)cc(OC)c1O ZINC000164445307 622956203 /nfs/dbraw/zinc/95/62/03/622956203.db2.gz AUAVEHUINBWRQT-HNNXBMFYSA-N 1 0 292.423 2.625 10 10 CFCERO Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCCCN3C[C@H]2C)c1 ZINC000251158243 650985037 /nfs/dbraw/zinc/98/50/37/650985037.db2.gz LKYVFTYYQPYXSS-ZBFHGGJFSA-N 1 0 274.408 2.759 10 10 CFCERO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cc1C ZINC000219021468 646961780 /nfs/dbraw/zinc/96/17/80/646961780.db2.gz FVVCYQNIKVUUMC-GJZGRUSLSA-N 1 0 263.381 2.644 10 10 CFCERO C[N+](C)(C)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000113177726 347766451 /nfs/dbraw/zinc/76/64/51/347766451.db2.gz UZPYDBCSOPZHPI-UHFFFAOYSA-N 1 0 266.320 2.659 10 10 CFCERO CC(C)N(C)c1ccc(C[NH3+])cc1Br ZINC000169171063 348050146 /nfs/dbraw/zinc/05/01/46/348050146.db2.gz GECNNGBJXLXTBN-UHFFFAOYSA-N 1 0 257.175 2.752 10 10 CFCERO Cc1c(O)c(O)cc2c1CC[NH2+]C[C@H]2c1ccccc1 ZINC000026400499 372318134 /nfs/dbraw/zinc/31/81/34/372318134.db2.gz GNVDGBRXYQPWSR-HNNXBMFYSA-N 1 0 269.344 2.684 10 10 CFCERO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc2c1OCC2 ZINC000390824382 382618890 /nfs/dbraw/zinc/61/88/90/382618890.db2.gz LYHOPKWSCHSGTN-UHFFFAOYSA-N 1 0 281.355 2.846 10 10 CFCERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)c(O)c1 ZINC000273359531 385679645 /nfs/dbraw/zinc/67/96/45/385679645.db2.gz AFALEOOXLVRLJU-FZMZJTMJSA-N 1 0 251.370 2.758 10 10 CFCERO CC[NH2+][C@@H](C)c1ccc(N2CCSCC2)cc1 ZINC000034840709 134785369 /nfs/dbraw/zinc/78/53/69/134785369.db2.gz QLIHKPMJQYVYRU-LBPRGKRZSA-N 1 0 250.411 2.910 10 10 CFCERO CC[C@@H]1CN(c2ccc(OC)c(Cl)c2)CC[NH2+]1 ZINC000083407679 135019509 /nfs/dbraw/zinc/01/95/09/135019509.db2.gz YTTVYZYGFQICKO-SNVBAGLBSA-N 1 0 254.761 2.537 10 10 CFCERO CC[C@@H]1CN(c2ccc(OC)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000083457394 135023343 /nfs/dbraw/zinc/02/33/43/135023343.db2.gz XOZDKLGBNWBKOV-CJNGLKHVSA-N 1 0 262.397 2.908 10 10 CFCERO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccncc2)c1 ZINC000020121839 171001360 /nfs/dbraw/zinc/00/13/60/171001360.db2.gz QRKYCFXGHFEFRQ-NSHDSACASA-N 1 0 258.321 2.647 10 10 CFCERO COc1ccc([C@H](C)[NH2+]Cc2ccncc2)c(O)c1 ZINC000020140527 171026891 /nfs/dbraw/zinc/02/68/91/171026891.db2.gz TXOCPSQHZASXQE-NSHDSACASA-N 1 0 258.321 2.647 10 10 CFCERO COCCOCCC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000020191933 171058423 /nfs/dbraw/zinc/05/84/23/171058423.db2.gz QLYVTNMTOMBWMO-UHFFFAOYSA-N 1 0 289.375 2.688 10 10 CFCERO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](CN)c2ccc(N(C)C)cc2)C1 ZINC000022221309 171378377 /nfs/dbraw/zinc/37/83/77/171378377.db2.gz SQVKGXOMBXNWKR-VBQJREDUSA-N 1 0 275.440 2.730 10 10 CFCERO Oc1cc2c(cc1O)[C@@H]1c3ccccc3C[NH2+][C@@H]1CC2 ZINC000026746099 171498415 /nfs/dbraw/zinc/49/84/15/171498415.db2.gz BGOQGUHWXBGXJW-PBHICJAKSA-N 1 0 267.328 2.648 10 10 in-vivo CFCERO COc1ccc(O)c(C[N@@H+]2CCc3c(N)cccc3C2)c1 ZINC000038032713 174029461 /nfs/dbraw/zinc/02/94/61/174029461.db2.gz GKVYIHYYAAJDTL-UHFFFAOYSA-N 1 0 284.359 2.541 10 10 CFCERO Cc1nccc(C[NH2+]Cc2c(O)ccc3ccccc32)n1 ZINC000038037415 174037691 /nfs/dbraw/zinc/03/76/91/174037691.db2.gz NXPQIAGGOLIVMD-UHFFFAOYSA-N 1 0 279.343 2.934 10 10 CFCERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000223852624 290004868 /nfs/dbraw/zinc/00/48/68/290004868.db2.gz NIHCHWQLCJDEAD-YSVLISHTSA-N 1 0 276.424 2.954 10 10 CFCERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccccc1O ZINC000049195652 519793996 /nfs/dbraw/zinc/79/39/96/519793996.db2.gz PFCHXTUZAGPKDK-TZMCWYRMSA-N 1 0 250.386 2.629 10 10 CFCERO CCC[NH2+]Cc1ccc(N(C)[C@@H](C)COC)c(C)c1 ZINC000050561680 519949597 /nfs/dbraw/zinc/94/95/97/519949597.db2.gz ABLUERIDUCYNFA-AWEZNQCLSA-N 1 0 264.413 2.966 10 10 CFCERO CCC[NH2+]C[C@H]1CCN(c2ccc(OCC)cc2)C1 ZINC000053010463 519937035 /nfs/dbraw/zinc/93/70/35/519937035.db2.gz KQCOYQBJKGVOCM-CQSZACIVSA-N 1 0 262.397 2.911 10 10 CFCERO CC[NH2+]C[C@H]1CCN(c2ccc(OC)c(Cl)c2)C1 ZINC000053011783 519977146 /nfs/dbraw/zinc/97/71/46/519977146.db2.gz WFJNVZRSUBQYEX-LLVKDONJSA-N 1 0 268.788 2.784 10 10 CFCERO CCCCOCCN(CC)c1ccc(C[NH3+])cc1 ZINC000049261699 520760307 /nfs/dbraw/zinc/76/03/07/520760307.db2.gz LRPGHJOSGNBFAH-UHFFFAOYSA-N 1 0 250.386 2.788 10 10 CFCERO C[NH2+]Cc1ccc(N2C[C@@H](C)OC(C)(C)C2)c(C)c1 ZINC000050562311 522119683 /nfs/dbraw/zinc/11/96/83/522119683.db2.gz UNTDAVFPWUBPNR-CYBMUJFWSA-N 1 0 262.397 2.718 10 10 CFCERO CC[C@H]1CO[C@@H](C)CN1c1ccc(C[NH3+])cc1Cl ZINC000062792911 523347365 /nfs/dbraw/zinc/34/73/65/523347365.db2.gz CCMPBOAURRBKJA-JQWIXIFHSA-N 1 0 268.788 2.802 10 10 CFCERO COCC[NH2+]Cc1ccc(N2CC[C@H](C)C2)cc1C ZINC000062736655 523951577 /nfs/dbraw/zinc/95/15/77/523951577.db2.gz XZMRDIXOKLWKCB-ZDUSSCGKSA-N 1 0 262.397 2.577 10 10 CFCERO C[C@H]([NH3+])c1ccc(N2CCN(C3CC3)CC2)c(Cl)c1 ZINC000061696928 524864741 /nfs/dbraw/zinc/86/47/41/524864741.db2.gz ULDGGCWQCVPYKZ-NSHDSACASA-N 1 0 279.815 2.644 10 10 CFCERO C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc(O)c1O ZINC000049157387 524938757 /nfs/dbraw/zinc/93/87/57/524938757.db2.gz KWFCHXWHSSPALR-JTQLQIEISA-N 1 0 263.362 2.880 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N(C)C2CCOCC2)c(Cl)c1 ZINC000061695739 525026526 /nfs/dbraw/zinc/02/65/26/525026526.db2.gz FHLXOFYJAKGYEA-SNVBAGLBSA-N 1 0 268.788 2.975 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N2CCCOCC2)c(Br)c1 ZINC000061919200 525026602 /nfs/dbraw/zinc/02/66/02/525026602.db2.gz DKGUFSPMLJRSRE-SNVBAGLBSA-N 1 0 299.212 2.696 10 10 CFCERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000085965352 525365096 /nfs/dbraw/zinc/36/50/96/525365096.db2.gz HXMYDZCWDGYCKC-YDHLFZDLSA-N 1 0 263.381 2.902 10 10 CFCERO Oc1ccc(F)cc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245909872 526347980 /nfs/dbraw/zinc/34/79/80/526347980.db2.gz FSPCDAKWMVGWDJ-XJKSGUPXSA-N 1 0 279.355 2.658 10 10 CFCERO Cc1nc(C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC000057548799 526917846 /nfs/dbraw/zinc/91/78/46/526917846.db2.gz LLCROAOWRMHSHS-CQSZACIVSA-N 1 0 261.394 2.760 10 10 CFCERO N#[N+]CC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000100996784 534975163 /nfs/dbraw/zinc/97/51/63/534975163.db2.gz OGNMCLDBFLMCBT-UHFFFAOYSA-N 1 0 252.273 2.749 10 10 CFCERO COc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@H]2C)cc1F ZINC000083493160 536708778 /nfs/dbraw/zinc/70/87/78/536708778.db2.gz XWXKOCQNGLJERA-RISCZKNCSA-N 1 0 266.360 2.657 10 10 CFCERO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c1 ZINC000188416197 618169762 /nfs/dbraw/zinc/16/97/62/618169762.db2.gz HWPXKUNHGKQBTC-HNNXBMFYSA-N 1 0 271.364 2.562 10 10 CFCERO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000042880459 621543907 /nfs/dbraw/zinc/54/39/07/621543907.db2.gz PLYIOFUGKAOGLA-NSHDSACASA-N 1 0 251.326 2.645 10 10 CFCERO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccccc1O ZINC000040502298 649984890 /nfs/dbraw/zinc/98/48/90/649984890.db2.gz ZTGCISKXTILPDG-UKRRQHHQSA-N 1 0 262.397 2.917 10 10 CFCERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(Cl)ccc1O ZINC000156081999 650042764 /nfs/dbraw/zinc/04/27/64/650042764.db2.gz BXCBLURGCDAADR-AWEZNQCLSA-N 1 0 282.815 2.962 10 10 CFCERO CN(C)c1ccc([C@H]([NH3+])Cc2nc3ccccc3[nH]2)cc1 ZINC000006871537 346216063 /nfs/dbraw/zinc/21/60/63/346216063.db2.gz SUOLCRXXLCYSAI-CQSZACIVSA-N 1 0 280.375 2.871 10 10 CFCERO COc1ccc2c(c1O)[C@@H](Cc1ccc(O)cc1)[NH2+]CC2 ZINC000085954099 179203787 /nfs/dbraw/zinc/20/37/87/179203787.db2.gz BXWMZVREXWPYKF-CQSZACIVSA-N 1 0 285.343 2.536 10 10 biogenic,in-vitro CFCERO Cc1cc(Br)cc([C@H]2CCC[NH2+]2)c1O ZINC000238532222 348246693 /nfs/dbraw/zinc/24/66/93/348246693.db2.gz LFYAUHRJESDAPO-SNVBAGLBSA-N 1 0 256.143 2.888 10 10 CFCERO [NH3+]Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1O ZINC000514264544 348640224 /nfs/dbraw/zinc/64/02/24/348640224.db2.gz QNWIUBIGWJOTKB-UHFFFAOYSA-N 1 0 259.149 2.889 10 10 CFCERO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)CC2 ZINC000297631836 200247569 /nfs/dbraw/zinc/24/75/69/200247569.db2.gz JIQFVWWKOOVWBM-MJBXVCDLSA-N 1 0 261.365 2.520 10 10 CFCERO C[C@H]1C[NH+](Cc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC000124499201 377056964 /nfs/dbraw/zinc/05/69/64/377056964.db2.gz BCPOFIQJBVYIKZ-UWVGGRQHSA-N 1 0 255.745 2.655 10 10 CFCERO Cc1cccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000180052533 380616534 /nfs/dbraw/zinc/61/65/34/380616534.db2.gz HHBJEFBWRLHLHV-OAHLLOKOSA-N 1 0 271.364 2.771 10 10 CFCERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccccc2O)[C@@H](C)C1 ZINC000183616887 381295629 /nfs/dbraw/zinc/29/56/29/381295629.db2.gz JKHRJHPVJSTXSL-YDHLFZDLSA-N 1 0 262.397 2.772 10 10 CFCERO C[C@H]([NH2+]CCO)c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000253495336 383461762 /nfs/dbraw/zinc/46/17/62/383461762.db2.gz WIARLQSLBTVGFI-STQMWFEESA-N 1 0 280.387 2.705 10 10 CFCERO Cc1ccc(C[NH+]2CCN(c3ccc(N)cc3)CC2)cc1 ZINC000008030956 393467448 /nfs/dbraw/zinc/46/74/48/393467448.db2.gz HGJDRXBLYWVBLD-UHFFFAOYSA-N 1 0 281.403 2.899 10 10 CFCERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000105437286 393863890 /nfs/dbraw/zinc/86/38/90/393863890.db2.gz MRBYIDVMYJZNCR-XVKPBYJWSA-N 1 0 256.143 2.653 10 10 CFCERO Cc1ccc(COc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC000019688485 134702621 /nfs/dbraw/zinc/70/26/21/134702621.db2.gz QSPUNPMUUXVYHX-UHFFFAOYSA-N 1 0 282.387 2.984 10 10 CFCERO CC[C@@H]1CN(c2ccc(OC)c(OC)c2)[C@H](CC)C[NH2+]1 ZINC000083586818 135030057 /nfs/dbraw/zinc/03/00/57/135030057.db2.gz FCOKLKYZELSKLL-CHWSQXEVSA-N 1 0 278.396 2.671 10 10 CFCERO COc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)cc1OC ZINC000083586651 135030159 /nfs/dbraw/zinc/03/01/59/135030159.db2.gz IGCTXGQDZWPFRE-GXTWGEPZSA-N 1 0 278.396 2.527 10 10 CFCERO COc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@H]2C)c(OC)c1 ZINC000083586640 135030190 /nfs/dbraw/zinc/03/01/90/135030190.db2.gz USWXWQZAYYEUHV-TZMCWYRMSA-N 1 0 278.396 2.527 10 10 CFCERO COc1ccc([C@H](C)[NH2+]Cc2cccnc2)c(O)c1 ZINC000020141415 171027822 /nfs/dbraw/zinc/02/78/22/171027822.db2.gz DPHRQUQMWYOASO-NSHDSACASA-N 1 0 258.321 2.647 10 10 CFCERO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N(C)C ZINC000020145613 171030790 /nfs/dbraw/zinc/03/07/90/171030790.db2.gz PYVUGHXVRVMIMP-GXTWGEPZSA-N 1 0 250.386 2.629 10 10 CFCERO Oc1ccc(C[NH2+][C@H]2CCCc3occc32)c(O)c1 ZINC000020204128 171069472 /nfs/dbraw/zinc/06/94/72/171069472.db2.gz XUERJYDXLMGRHU-ZDUSSCGKSA-N 1 0 259.305 2.858 10 10 CFCERO C[C@@H]1CCC[C@H](C)[N@H+]1CCC(=O)Nc1ccc(N)cc1 ZINC000022211035 171373458 /nfs/dbraw/zinc/37/34/58/171373458.db2.gz GHEIVRGSQCRPPL-BETUJISGSA-N 1 0 275.396 2.860 10 10 CFCERO CN(C)c1ccc([C@@H](C[NH3+])N(C)c2ccccc2)cc1 ZINC000022223287 171379149 /nfs/dbraw/zinc/37/91/49/171379149.db2.gz XZNDZIWNMPYZAV-QGZVFWFLSA-N 1 0 269.392 2.889 10 10 CFCERO c1cc(N2CCCC2)ccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000038044900 174052868 /nfs/dbraw/zinc/05/28/68/174052868.db2.gz VJWYKDJOTHOTLE-INIZCTEOSA-N 1 0 274.408 2.803 10 10 CFCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](C)N(C)C ZINC000038088313 174101308 /nfs/dbraw/zinc/10/13/08/174101308.db2.gz GJTSYEHOEYDXCN-UPJWGTAASA-N 1 0 262.397 2.789 10 10 CFCERO C[C@@H](C[NH2+]Cc1c(O)ccc2ccccc21)N(C)C ZINC000038088758 174102594 /nfs/dbraw/zinc/10/25/94/174102594.db2.gz VLAGVYSHPYGMRF-LBPRGKRZSA-N 1 0 258.365 2.585 10 10 CFCERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000049195651 519814728 /nfs/dbraw/zinc/81/47/28/519814728.db2.gz PFCHXTUZAGPKDK-JSGCOSHPSA-N 1 0 250.386 2.629 10 10 CFCERO CCN(c1ccc(C[NH2+]C)c(C)c1)[C@@H](C)COC ZINC000050584551 521489216 /nfs/dbraw/zinc/48/92/16/521489216.db2.gz FDQXUMUFUQZQDK-ZDUSSCGKSA-N 1 0 250.386 2.576 10 10 CFCERO C[NH2+]Cc1ccc(N(CCOC)CC(C)C)c(C)c1 ZINC000050561833 522119279 /nfs/dbraw/zinc/11/92/79/522119279.db2.gz BUMINFANKOEXEW-UHFFFAOYSA-N 1 0 264.413 2.823 10 10 CFCERO COC1CCN(c2ccc([C@H](C)[NH3+])cc2Cl)CC1 ZINC000061695027 522710508 /nfs/dbraw/zinc/71/05/08/522710508.db2.gz YMHZOOXOCXKUQC-JTQLQIEISA-N 1 0 268.788 2.975 10 10 CFCERO COCC[NH2+]Cc1ccc(N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000062734634 523952105 /nfs/dbraw/zinc/95/21/05/523952105.db2.gz XPVYVPFYLACMBR-GJZGRUSLSA-N 1 0 276.424 2.905 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N2CCC(CO)CC2)c(Cl)c1 ZINC000061694652 525026755 /nfs/dbraw/zinc/02/67/55/525026755.db2.gz VBFSTZLNHFBUKV-SNVBAGLBSA-N 1 0 268.788 2.568 10 10 CFCERO Cc1cc(O)c(C[N@@H+]2CCS[C@@H](C)C2)cc1C ZINC000171606499 525318292 /nfs/dbraw/zinc/31/82/92/525318292.db2.gz LKDNNQKJUCZLKS-LBPRGKRZSA-N 1 0 251.395 2.946 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H]1CCCO1 ZINC000245873136 525604456 /nfs/dbraw/zinc/60/44/56/525604456.db2.gz HBDNJSJOIQIDRO-IMSIIYSGSA-N 1 0 253.317 2.749 10 10 CFCERO CCOc1ccc(N2CC[NH2+][C@H](CC)C2)cc1OCC ZINC000083586400 535735386 /nfs/dbraw/zinc/73/53/86/535735386.db2.gz PLPMLDVGTKAJPZ-CYBMUJFWSA-N 1 0 278.396 2.672 10 10 CFCERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc2c(cc1O)CCC2 ZINC000177157729 618358530 /nfs/dbraw/zinc/35/85/30/618358530.db2.gz CELMWKJXNZPVMA-QGZVFWFLSA-N 1 0 288.435 2.797 10 10 CFCERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc2c(cc1O)CCC2 ZINC000177157745 618359187 /nfs/dbraw/zinc/35/91/87/618359187.db2.gz CELMWKJXNZPVMA-KRWDZBQOSA-N 1 0 288.435 2.797 10 10 CFCERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cc(F)ccc1O ZINC000094617792 619133021 /nfs/dbraw/zinc/13/30/21/619133021.db2.gz BFQLZGXQAHJPHL-PWSUYJOCSA-N 1 0 253.317 2.751 10 10 CFCERO CCN1CCC[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000228671993 620072928 /nfs/dbraw/zinc/07/29/28/620072928.db2.gz BYUXGSVXSZYPQN-ZDUSSCGKSA-N 1 0 298.814 2.628 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000249293987 650958004 /nfs/dbraw/zinc/95/80/04/650958004.db2.gz BQYOFNLSIKPMEQ-WOSRLPQWSA-N 1 0 262.397 2.971 10 10 CFCERO Oc1ccc(C[NH2+]C2CCCCCC2)c(O)c1O ZINC000083385048 178392998 /nfs/dbraw/zinc/39/29/98/178392998.db2.gz XJVBJXQLKFRGHH-UHFFFAOYSA-N 1 0 251.326 2.616 10 10 CFCERO CCCCOCCC[NH2+]Cc1ccc(OC)cc1O ZINC000083495522 178524708 /nfs/dbraw/zinc/52/47/08/178524708.db2.gz ZMGQCDMSCCBYAE-UHFFFAOYSA-N 1 0 267.369 2.697 10 10 CFCERO C[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)C[C@@H](C)[NH2+]1 ZINC000116273464 347785962 /nfs/dbraw/zinc/78/59/62/347785962.db2.gz XQMAEZIPLCUNLL-NXEZZACHSA-N 1 0 274.286 2.772 10 10 CFCERO COc1cc(C)c(N(C)CCC[NH3+])cc1C(C)C ZINC000107294884 186167559 /nfs/dbraw/zinc/16/75/59/186167559.db2.gz IYIVJVFLTPZDHC-UHFFFAOYSA-N 1 0 250.386 2.912 10 10 CFCERO CCOc1cc(C)c(N(C)CC[NH2+]C)cc1Cl ZINC000107296412 186168344 /nfs/dbraw/zinc/16/83/44/186168344.db2.gz WDGSJLSXRWOALN-UHFFFAOYSA-N 1 0 256.777 2.703 10 10 CFCERO Oc1cc2c(cc1O)C[C@@H]([NH2+]Cc1ccccc1)CC2 ZINC000013604051 372036112 /nfs/dbraw/zinc/03/61/12/372036112.db2.gz YOZGWJXSKNAAGL-HNNXBMFYSA-N 1 0 269.344 2.745 10 10 CFCERO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1O ZINC000093438318 375237060 /nfs/dbraw/zinc/23/70/60/375237060.db2.gz WWPRPQXYTUATMO-CQSZACIVSA-N 1 0 287.363 2.851 10 10 CFCERO Cc1ccc(O)c(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000122110792 376922151 /nfs/dbraw/zinc/92/21/51/376922151.db2.gz AOBHJHVFIIEHOK-UHFFFAOYSA-N 1 0 285.391 2.809 10 10 CFCERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccccc3O)C2)c1 ZINC000179572771 380559354 /nfs/dbraw/zinc/55/93/54/380559354.db2.gz DPFKKHMTTBYMLV-HNNXBMFYSA-N 1 0 271.364 2.734 10 10 CFCERO Cc1cc(C(=O)NCC[C@@H](C)[NH3+])c(C)n1-c1cccc(C)c1 ZINC000178671978 291753967 /nfs/dbraw/zinc/75/39/67/291753967.db2.gz FZQYDQCXVBHINT-CYBMUJFWSA-N 1 0 299.418 2.870 10 10 CFCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000186101666 381823170 /nfs/dbraw/zinc/82/31/70/381823170.db2.gz XDEQILXFLDUTNJ-XEZPLFJOSA-N 1 0 292.423 2.780 10 10 CFCERO [NH3+]CCCC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1[O-] ZINC000575438807 382771377 /nfs/dbraw/zinc/77/13/77/382771377.db2.gz NGIMWCVLBDMABM-SNVBAGLBSA-N 1 0 263.168 2.828 10 10 CFCERO C[C@H]1C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000105437289 393864038 /nfs/dbraw/zinc/86/40/38/393864038.db2.gz MRBYIDVMYJZNCR-OIBJUYFYSA-N 1 0 256.143 2.653 10 10 CFCERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000120553373 393935837 /nfs/dbraw/zinc/93/58/37/393935837.db2.gz IOZHDULGZAWDTQ-XUJVJEKNSA-N 1 0 278.371 2.721 10 10 CFCERO CC(C)[NH2+]Cc1ccc(N2CCOC[C@@H]2C)c(F)c1 ZINC000035777744 134803971 /nfs/dbraw/zinc/80/39/71/134803971.db2.gz AFJRTFSSPLCOLP-LBPRGKRZSA-N 1 0 266.360 2.549 10 10 CFCERO COc1ccc(N2C[C@H](C)[NH2+]C[C@H]2C(C)C)cc1F ZINC000083493201 135024308 /nfs/dbraw/zinc/02/43/08/135024308.db2.gz OVXFMFURAKHOAK-FZMZJTMJSA-N 1 0 266.360 2.657 10 10 CFCERO CC[C@@H]1CN(c2ccc(OC)cc2OC)[C@H](CC)C[NH2+]1 ZINC000083586810 135030098 /nfs/dbraw/zinc/03/00/98/135030098.db2.gz UCZIAFILXHJJEI-CHWSQXEVSA-N 1 0 278.396 2.671 10 10 CFCERO OC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297685652 296551235 /nfs/dbraw/zinc/55/12/35/296551235.db2.gz LSAHDHHLWYKCIP-BFHYXJOUSA-N 1 0 261.365 2.520 10 10 CFCERO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1nnc2n1CCCC2 ZINC000183536579 287063351 /nfs/dbraw/zinc/06/33/51/287063351.db2.gz ITSHVCMONKMNLI-VXGBXAGGSA-N 1 0 286.379 2.732 10 10 CFCERO Oc1ccc(CC[NH2+]C[C@@H]2CCc3ccccc3N2)cc1O ZINC000004982809 170048531 /nfs/dbraw/zinc/04/85/31/170048531.db2.gz NICLOVHXJDVKIR-HNNXBMFYSA-N 1 0 298.386 2.657 10 10 CFCERO C[C@@H]([NH2+][C@H](C)c1ccc(O)cc1O)c1ccncc1 ZINC000020121264 171000191 /nfs/dbraw/zinc/00/01/91/171000191.db2.gz LPIFARRHWKWHEE-GHMZBOCLSA-N 1 0 258.321 2.905 10 10 CFCERO C=COCCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000020197392 171061142 /nfs/dbraw/zinc/06/11/42/171061142.db2.gz BAGDDQMRZAFMRA-NSHDSACASA-N 1 0 251.326 2.602 10 10 CFCERO C[C@H]1C[C@H](C)C[NH+]([C@@H](CN)c2ccc(N(C)C)cc2)C1 ZINC000022221311 171378340 /nfs/dbraw/zinc/37/83/40/171378340.db2.gz SQVKGXOMBXNWKR-ZQIUZPCESA-N 1 0 275.440 2.730 10 10 CFCERO CC[NH2+][C@@H](C)c1ccc(N(C)C2CCOCC2)cc1 ZINC000036321505 172605234 /nfs/dbraw/zinc/60/52/34/172605234.db2.gz UZNOHFBAPILFLU-ZDUSSCGKSA-N 1 0 262.397 2.972 10 10 CFCERO CC[C@H](C)C[N@H+](C)[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000037172663 173006690 /nfs/dbraw/zinc/00/66/90/173006690.db2.gz FYUKRKRYNVYITL-BBRMVZONSA-N 1 0 263.429 2.730 10 10 CFCERO COc1cccc(C[N@@H+]2CCc3c(N)cccc3C2)c1O ZINC000038032480 174028152 /nfs/dbraw/zinc/02/81/52/174028152.db2.gz KWDHJBZTBITXNZ-UHFFFAOYSA-N 1 0 284.359 2.541 10 10 CFCERO Cc1cc(C(=O)NCC[C@@H](C)[NH3+])c(C)n1-c1ccccc1C ZINC000178694636 301132357 /nfs/dbraw/zinc/13/23/57/301132357.db2.gz ZDZDZBAMRFTWKW-CYBMUJFWSA-N 1 0 299.418 2.870 10 10 CFCERO CCCN(CCOC(C)C)c1ccc(C[NH3+])cc1 ZINC000049259276 521669660 /nfs/dbraw/zinc/66/96/60/521669660.db2.gz YUZJCSSAKKJDLT-UHFFFAOYSA-N 1 0 250.386 2.787 10 10 CFCERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1ccccc1O ZINC000221046057 518826162 /nfs/dbraw/zinc/82/61/62/518826162.db2.gz SXJUNQJENVHHRX-UHFFFAOYSA-N 1 0 294.395 2.785 10 10 CFCERO CC(C)OCC[N@H+](Cc1ccc(N)cc1)C(C)C ZINC000049259848 519765431 /nfs/dbraw/zinc/76/54/31/519765431.db2.gz LXSRMNJBBHZSIG-UHFFFAOYSA-N 1 0 250.386 2.904 10 10 CFCERO CC[NH2+]C[C@H]1CCN(c2ccc(OCC)c(OCC)c2)C1 ZINC000053010872 519977989 /nfs/dbraw/zinc/97/79/89/519977989.db2.gz CAAMLIRFQAWIKT-CQSZACIVSA-N 1 0 292.423 2.920 10 10 CFCERO CCC[C@@]1(CN(C)c2ccc(OC)cc2)CC[NH2+]C1 ZINC000062912236 520959379 /nfs/dbraw/zinc/95/93/79/520959379.db2.gz JALHFBWXYLNEKD-MRXNPFEDSA-N 1 0 262.397 2.911 10 10 CFCERO CCC[N@H+](CCOC(C)C)Cc1ccc(N)cc1 ZINC000049259843 521669077 /nfs/dbraw/zinc/66/90/77/521669077.db2.gz RJDGFMYOPKNRAB-UHFFFAOYSA-N 1 0 250.386 2.906 10 10 CFCERO CC[C@@H](C)N(C)c1ccc(C[NH2+]CCOC)c(C)c1 ZINC000062735383 522066254 /nfs/dbraw/zinc/06/62/54/522066254.db2.gz HUFXYPIGCIRBRY-CQSZACIVSA-N 1 0 264.413 2.966 10 10 CFCERO C[NH2+]Cc1ccc(N(C)Cc2cscn2)c(C)c1 ZINC000050562250 522121001 /nfs/dbraw/zinc/12/10/01/522121001.db2.gz VSCHJNLYXUELAB-UHFFFAOYSA-N 1 0 261.394 2.807 10 10 CFCERO CC[C@H](C)CN(C)c1ccc(C[NH2+]CCOC)cc1 ZINC000062735508 523871921 /nfs/dbraw/zinc/87/19/21/523871921.db2.gz FDCJTRXOJKVXPW-AWEZNQCLSA-N 1 0 264.413 2.905 10 10 CFCERO COc1ccc(N2CC[C@H](C[NH2+]C3CC3)C2)cc1Cl ZINC000053011771 524440611 /nfs/dbraw/zinc/44/06/11/524440611.db2.gz WYYUICVPNJIQTC-LLVKDONJSA-N 1 0 280.799 2.927 10 10 CFCERO Cc1cc(N(C)CCc2ccncc2)ccc1C[NH3+] ZINC000050582670 525026642 /nfs/dbraw/zinc/02/66/42/525026642.db2.gz FGHJDZHBQVIBGJ-UHFFFAOYSA-N 1 0 255.365 2.528 10 10 CFCERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cc(F)ccc1O ZINC000273621317 525379431 /nfs/dbraw/zinc/37/94/31/525379431.db2.gz ZBKCQIAXRXFZGC-TVQRCGJNSA-N 1 0 255.333 2.589 10 10 CFCERO C[NH+](C)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000170843135 624957199 /nfs/dbraw/zinc/95/71/99/624957199.db2.gz YAWRHMCWUPECBS-CQSZACIVSA-N 1 0 292.423 2.531 10 10 CFCERO CCN1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000040502275 649984959 /nfs/dbraw/zinc/98/49/59/649984959.db2.gz WOQCZVIDRDCFJG-ZDUSSCGKSA-N 1 0 268.788 2.620 10 10 CFCERO COc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c(O)cc1C ZINC000245514608 650818459 /nfs/dbraw/zinc/81/84/59/650818459.db2.gz GFZGDYMETHBPBX-GDBMZVCRSA-N 1 0 291.391 2.853 10 10 CFCERO Oc1ccc(Cl)cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245852851 650838591 /nfs/dbraw/zinc/83/85/91/650838591.db2.gz DEBUARKFVFNLBL-AWEZNQCLSA-N 1 0 280.799 2.716 10 10 CFCERO [NH3+]Cc1c(O)cc(C(F)(F)F)cc1C(F)(F)F ZINC000514264510 348640026 /nfs/dbraw/zinc/64/00/26/348640026.db2.gz QJBSFSFZESEJEQ-UHFFFAOYSA-N 1 0 259.149 2.889 10 10 CFCERO CCC[N@H+](Cc1ccccc1O)C[C@](C)(O)CC ZINC000161328214 283297522 /nfs/dbraw/zinc/29/75/22/283297522.db2.gz GGFJSITWAUHEGH-OAHLLOKOSA-N 1 0 251.370 2.765 10 10 CFCERO COc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1O ZINC000093585804 375270254 /nfs/dbraw/zinc/27/02/54/375270254.db2.gz AWOVAXRUPXRDRI-RHSMWYFYSA-N 1 0 291.391 2.528 10 10 CFCERO CN(C)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000112590107 375931870 /nfs/dbraw/zinc/93/18/70/375931870.db2.gz YAELEGXUDQSAGB-CQSZACIVSA-N 1 0 270.376 2.681 10 10 CFCERO Cc1cc(O)c(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1C ZINC000116259522 376173423 /nfs/dbraw/zinc/17/34/23/376173423.db2.gz WRBKRLGZGZPBRI-CQSZACIVSA-N 1 0 285.391 2.732 10 10 CFCERO CCOc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1O ZINC000135646300 378153725 /nfs/dbraw/zinc/15/37/25/378153725.db2.gz KOAUNECMJFRUNK-ZIAGYGMSSA-N 1 0 279.380 2.574 10 10 CFCERO Oc1ccccc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000179567663 380558063 /nfs/dbraw/zinc/55/80/63/380558063.db2.gz DKZXAXHLSQIHPP-CQSZACIVSA-N 1 0 283.375 2.721 10 10 CFCERO Oc1ccccc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000179575693 380560938 /nfs/dbraw/zinc/56/09/38/380560938.db2.gz YHVZJYKAWYSTLS-AWEZNQCLSA-N 1 0 257.337 2.843 10 10 CFCERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179583355 380561184 /nfs/dbraw/zinc/56/11/84/380561184.db2.gz IFRHSAJQABQXSA-HNNXBMFYSA-N 1 0 271.364 2.562 10 10 CFCERO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000180262795 380640373 /nfs/dbraw/zinc/64/03/73/380640373.db2.gz RSECCCCCNOLDDX-HNNXBMFYSA-N 1 0 287.363 2.851 10 10 CFCERO Cc1cccc(C[NH+]2CCC(Cn3cccn3)CC2)c1O ZINC000180125338 380622042 /nfs/dbraw/zinc/62/20/42/380622042.db2.gz NCUFLNCKWXIOSJ-UHFFFAOYSA-N 1 0 285.391 2.809 10 10 CFCERO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000180120107 380622347 /nfs/dbraw/zinc/62/23/47/380622347.db2.gz OSSQRKNRSDSUCE-GOSISDBHSA-N 1 0 298.434 2.922 10 10 CFCERO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)c1 ZINC000180121042 380622723 /nfs/dbraw/zinc/62/27/23/380622723.db2.gz AYGZERPJDVHEGD-HNNXBMFYSA-N 1 0 289.354 2.873 10 10 CFCERO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000180120088 380622758 /nfs/dbraw/zinc/62/27/58/380622758.db2.gz OSSQRKNRSDSUCE-SFHVURJKSA-N 1 0 298.434 2.922 10 10 CFCERO CC[C@H]1CN(c2ccc(C[NH2+]C(C)C)cc2)CCO1 ZINC000036770468 134823253 /nfs/dbraw/zinc/82/32/53/134823253.db2.gz CDEQJFFQXNRHHI-INIZCTEOSA-N 1 0 262.397 2.800 10 10 CFCERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccc(OC(F)F)cc1 ZINC000083517159 135026246 /nfs/dbraw/zinc/02/62/46/135026246.db2.gz DHXYROPTTVVPPC-QWRGUYRKSA-N 1 0 270.323 2.865 10 10 CFCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000185507194 286339222 /nfs/dbraw/zinc/33/92/22/286339222.db2.gz KZAVLKPBLNVYCZ-YWPYICTPSA-N 1 0 279.380 2.603 10 10 CFCERO COc1ccc2c(c1O)C[NH2+]C[C@H]2c1ccc(O)c(C)c1 ZINC000004963093 170045632 /nfs/dbraw/zinc/04/56/32/170045632.db2.gz BZDLZILJDIZOMM-ZDUSSCGKSA-N 1 0 285.343 2.650 10 10 CFCERO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(O)cc1O ZINC000038028558 174017243 /nfs/dbraw/zinc/01/72/43/174017243.db2.gz DTKLTVSWRDSXKD-QWHCGFSZSA-N 1 0 278.396 2.623 10 10 CFCERO CCC[NH+](CCC)[C@H](CN)c1ccc(N(C)C)cc1 ZINC000038860346 174157737 /nfs/dbraw/zinc/15/77/37/174157737.db2.gz JGIPZHHGXKRGLS-MRXNPFEDSA-N 1 0 263.429 2.874 10 10 CFCERO CC[NH2+]Cc1ccc(N(C)C2CCOCC2)c(C)c1 ZINC000050560572 519998074 /nfs/dbraw/zinc/99/80/74/519998074.db2.gz QQJPMKLSTNVGBN-UHFFFAOYSA-N 1 0 262.397 2.720 10 10 CFCERO CCC[C@H](C)[NH2+]CCN(C)c1ccc(OC)cc1 ZINC000053434067 521061111 /nfs/dbraw/zinc/06/11/11/521061111.db2.gz RHSFXAMWXCYXKY-ZDUSSCGKSA-N 1 0 250.386 2.910 10 10 CFCERO COC[C@H](C)N(C)c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061697103 522596026 /nfs/dbraw/zinc/59/60/26/522596026.db2.gz XJBLZCVKKWYTOB-VHSXEESVSA-N 1 0 256.777 2.831 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N2CCOC[C@@H]2C)c(Br)c1 ZINC000061695180 525026563 /nfs/dbraw/zinc/02/65/63/525026563.db2.gz PPJQTLCYNBWPEI-VHSXEESVSA-N 1 0 299.212 2.694 10 10 CFCERO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cc(F)ccc1O ZINC000273621312 525473911 /nfs/dbraw/zinc/47/39/11/525473911.db2.gz ZBKCQIAXRXFZGC-NOZJJQNGSA-N 1 0 255.333 2.589 10 10 CFCERO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1C ZINC000188404055 618168800 /nfs/dbraw/zinc/16/88/00/618168800.db2.gz RPUUTLDVVVOFNU-MRXNPFEDSA-N 1 0 285.391 2.870 10 10 CFCERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C)ccc1O ZINC000184054337 618911774 /nfs/dbraw/zinc/91/17/74/618911774.db2.gz NNYNWRKWYUBTHR-JKSUJKDBSA-N 1 0 274.408 2.759 10 10 CFCERO Cc1cc(C)c(O)c(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000164393232 622952066 /nfs/dbraw/zinc/95/20/66/622952066.db2.gz HRPMOEYQJWANNZ-GOEBONIOSA-N 1 0 274.408 2.678 10 10 CFCERO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000151634343 623545292 /nfs/dbraw/zinc/54/52/92/623545292.db2.gz RLZYGCBAVWKIJE-CQSZACIVSA-N 1 0 299.370 2.930 10 10 CFCERO Cc1cc(C[NH2+]CC(C)(C)O)c(C)n1-c1ccccc1 ZINC000087009552 626476205 /nfs/dbraw/zinc/47/62/05/626476205.db2.gz KESHNVFQMFZKHH-UHFFFAOYSA-N 1 0 272.392 2.955 10 10 CFCERO CC[C@H]([NH2+][C@H]1CCCN(CC)C1)c1ccccc1O ZINC000040502299 649985073 /nfs/dbraw/zinc/98/50/73/649985073.db2.gz ZTGCISKXTILPDG-ZFWWWQNUSA-N 1 0 262.397 2.917 10 10 CFCERO CCN1CCC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000083552133 650764747 /nfs/dbraw/zinc/76/47/47/650764747.db2.gz CKVWFYCTWSORBJ-NSHDSACASA-N 1 0 268.788 2.620 10 10 CFCERO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000245918597 650843738 /nfs/dbraw/zinc/84/37/38/650843738.db2.gz ZGDXVCASVABOAG-YPMHNXCESA-N 1 0 266.360 2.666 10 10 CFCERO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCS1 ZINC000131357264 645706623 /nfs/dbraw/zinc/70/66/23/645706623.db2.gz GQTHDAQSAUQKKU-VIFPVBQESA-N 1 0 257.786 2.983 10 10 CFCERO Oc1cc(Br)ccc1[C@H]1CCCC[NH2+]1 ZINC000096884303 185120658 /nfs/dbraw/zinc/12/06/58/185120658.db2.gz GZUVFFRRGBWPOY-SNVBAGLBSA-N 1 0 256.143 2.969 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N2CCCC[C@H]2CO)c(Cl)c1 ZINC000103954349 136524862 /nfs/dbraw/zinc/52/48/62/136524862.db2.gz SYKJNQCMODKANO-PWSUYJOCSA-N 1 0 268.788 2.711 10 10 CFCERO C[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cc(O)c(O)cc1-3 ZINC000038921120 346340392 /nfs/dbraw/zinc/34/03/92/346340392.db2.gz ISTXHGONSIOJQO-AWEZNQCLSA-N 1 0 267.328 2.850 10 10 CFCERO Nc1ccc(N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000011756067 371927948 /nfs/dbraw/zinc/92/79/48/371927948.db2.gz RGAYBGMAQWESJW-UHFFFAOYSA-N 1 0 273.424 2.971 10 10 CFCERO Oc1cc2c(c(F)c1O)CC[NH2+]C[C@H]2c1ccccc1 ZINC000026386737 372318298 /nfs/dbraw/zinc/31/82/98/372318298.db2.gz LXZIBTPIJYEOGH-ZDUSSCGKSA-N 1 0 273.307 2.515 10 10 CFCERO Cc1cc(O)c(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1C ZINC000116259519 376173591 /nfs/dbraw/zinc/17/35/91/376173591.db2.gz WRBKRLGZGZPBRI-AWEZNQCLSA-N 1 0 285.391 2.732 10 10 CFCERO Oc1ccccc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000179567676 380558731 /nfs/dbraw/zinc/55/87/31/380558731.db2.gz DKZXAXHLSQIHPP-AWEZNQCLSA-N 1 0 283.375 2.721 10 10 CFCERO Cc1cc(O)c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1C ZINC000246931242 383122499 /nfs/dbraw/zinc/12/24/99/383122499.db2.gz DNPWAFBHHLSETL-GDBMZVCRSA-N 1 0 274.408 2.678 10 10 CFCERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000105437284 393863524 /nfs/dbraw/zinc/86/35/24/393863524.db2.gz MRBYIDVMYJZNCR-XCBNKYQSSA-N 1 0 256.143 2.653 10 10 CFCERO CC(C)[C@H]1CN(c2ccc(OC(F)F)cc2)CC[NH2+]1 ZINC000083517112 135026300 /nfs/dbraw/zinc/02/63/00/135026300.db2.gz UVJRPRKZHLPALU-CYBMUJFWSA-N 1 0 270.323 2.722 10 10 CFCERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc2c(c1)OCO2 ZINC000083548517 135029569 /nfs/dbraw/zinc/02/95/69/135029569.db2.gz FOMGYRFXVWCJGF-GXTWGEPZSA-N 1 0 276.380 2.628 10 10 CFCERO COc1cccc(C[NH2+][C@@H](C)c2ccncc2)c1O ZINC000020121244 171000487 /nfs/dbraw/zinc/00/04/87/171000487.db2.gz RTQHQBQSGMUWFP-NSHDSACASA-N 1 0 258.321 2.647 10 10 CFCERO C[C@@H]([NH2+][C@H](C)c1cc(O)ccc1O)c1ccncc1 ZINC000020121347 171000544 /nfs/dbraw/zinc/00/05/44/171000544.db2.gz RHNFWECFBZOVFT-GHMZBOCLSA-N 1 0 258.321 2.905 10 10 CFCERO COc1ccc([C@@H](C)[NH2+]Cc2cccnc2)c(O)c1 ZINC000020141413 171027983 /nfs/dbraw/zinc/02/79/83/171027983.db2.gz DPHRQUQMWYOASO-LLVKDONJSA-N 1 0 258.321 2.647 10 10 CFCERO CCC[NH+](CCC)CCC(=O)Nc1ccc(N)cc1 ZINC000022156241 171362704 /nfs/dbraw/zinc/36/27/04/171362704.db2.gz ZJRAQGQHVXQFTO-UHFFFAOYSA-N 1 0 263.385 2.719 10 10 CFCERO C[NH2+]Cc1ccc(OC)c(COc2ccccc2)c1 ZINC000022200937 171372436 /nfs/dbraw/zinc/37/24/36/171372436.db2.gz SGRRSLVZXBNPMJ-UHFFFAOYSA-N 1 0 257.333 2.994 10 10 CFCERO C[NH2+]Cc1ccc(N(CC(F)(F)F)C2CC2)cc1 ZINC000042777833 174874989 /nfs/dbraw/zinc/87/49/89/174874989.db2.gz ZVMUBRDOQSKMLF-UHFFFAOYSA-N 1 0 258.287 2.937 10 10 CFCERO CCOc1cccc(CN(C)C[C@@H]2CCC[N@@H+]2CC)c1O ZINC000156084932 276379633 /nfs/dbraw/zinc/37/96/33/276379633.db2.gz AUSRDZDDHJNAQT-HNNXBMFYSA-N 1 0 292.423 2.707 10 10 CFCERO CC[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000050581078 519998589 /nfs/dbraw/zinc/99/85/89/519998589.db2.gz OMHKQVFXAYSFQS-ZIAGYGMSSA-N 1 0 262.397 2.718 10 10 CFCERO Cc1cc(Cl)cc(CN2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000245856546 524866115 /nfs/dbraw/zinc/86/61/15/524866115.db2.gz NQRZGSAHRYIUPU-AWEZNQCLSA-N 1 0 280.799 2.634 10 10 CFCERO Cc1ccc(O)c(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000282290906 525345874 /nfs/dbraw/zinc/34/58/74/525345874.db2.gz RCYRSJHWSJCWKW-STQMWFEESA-N 1 0 263.381 2.994 10 10 CFCERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cc(F)ccc1O ZINC000245866184 525413692 /nfs/dbraw/zinc/41/36/92/525413692.db2.gz FDEQAEWHGDNXAK-MISXGVKJSA-N 1 0 267.344 2.733 10 10 CFCERO C[NH2+][C@H](C)c1ccc(N2CCSCC2)c(F)c1 ZINC000034840740 536406498 /nfs/dbraw/zinc/40/64/98/536406498.db2.gz IXOQBYOAECBKPG-SNVBAGLBSA-N 1 0 254.374 2.659 10 10 CFCERO Oc1ccc2ccccc2c1C[NH2+][C@H]1CCCOC1 ZINC000109543617 526356044 /nfs/dbraw/zinc/35/60/44/526356044.db2.gz BQWNBNIZVUXGMC-ZDUSSCGKSA-N 1 0 257.333 2.814 10 10 CFCERO CC[C@H]1CN(c2ccc3c(c2)OCO3)[C@H](C(C)C)C[NH2+]1 ZINC000083548542 536161523 /nfs/dbraw/zinc/16/15/23/536161523.db2.gz SSNRRTDGXDKAKN-JSGCOSHPSA-N 1 0 276.380 2.628 10 10 CFCERO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1C ZINC000188404084 618168778 /nfs/dbraw/zinc/16/87/78/618168778.db2.gz RPUUTLDVVVOFNU-INIZCTEOSA-N 1 0 285.391 2.870 10 10 CFCERO CCN(CC)c1ccc(C[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000051993809 618362672 /nfs/dbraw/zinc/36/26/72/618362672.db2.gz DICCEWQJFPBWMM-DLBZAZTESA-N 1 0 276.424 2.926 10 10 CFCERO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000051993803 618362691 /nfs/dbraw/zinc/36/26/91/618362691.db2.gz DICCEWQJFPBWMM-SJORKVTESA-N 1 0 276.424 2.926 10 10 CFCERO CCN1CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000083552135 650765139 /nfs/dbraw/zinc/76/51/39/650765139.db2.gz CKVWFYCTWSORBJ-LLVKDONJSA-N 1 0 268.788 2.620 10 10 CFCERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000089163431 650829058 /nfs/dbraw/zinc/82/90/58/650829058.db2.gz QZWBXFVTGTYOCO-SJLPKXTDSA-N 1 0 288.435 2.928 10 10 CFCERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000249615218 650964490 /nfs/dbraw/zinc/96/44/90/650964490.db2.gz WSAZNLFKKRHREV-KGLIPLIRSA-N 1 0 262.397 2.836 10 10 CFCERO COc1ccc2c(c1)CCN2Cc1cccc(C[NH3+])c1 ZINC000027850768 346271974 /nfs/dbraw/zinc/27/19/74/346271974.db2.gz DIGNNTVHOJDQKG-UHFFFAOYSA-N 1 0 268.360 2.717 10 10 CFCERO [NH3+]Cc1ccc(N2CCCC2)c(Br)c1 ZINC000169170028 348050163 /nfs/dbraw/zinc/05/01/63/348050163.db2.gz SRPVIAKWDSAFFS-UHFFFAOYSA-N 1 0 255.159 2.508 10 10 CFCERO COc1ccc(C(=O)C[N+]#N)c(-c2ccccc2)c1 ZINC000584603895 348687267 /nfs/dbraw/zinc/68/72/67/348687267.db2.gz VPIQORHZROINPM-UHFFFAOYSA-N 1 0 252.273 2.846 10 10 CFCERO CC[C@H]([NH3+])Cc1c(C)nn(C)c1Sc1nccs1 ZINC000104433357 186000855 /nfs/dbraw/zinc/00/08/55/186000855.db2.gz CPQQNOPCFRHFET-VIFPVBQESA-N 1 0 282.438 2.616 10 10 CFCERO C[NH2+]CCN(C)c1ccc(OC)c(C(C)(C)C)c1 ZINC000107294859 186168618 /nfs/dbraw/zinc/16/86/18/186168618.db2.gz BTTRBQKROQXEAF-UHFFFAOYSA-N 1 0 250.386 2.648 10 10 CFCERO Cc1cccc(C[NH2+][C@@H]2COc3ccccc32)c1O ZINC000124808773 377089981 /nfs/dbraw/zinc/08/99/81/377089981.db2.gz JZAWOLCJWXTRCQ-CQSZACIVSA-N 1 0 255.317 2.924 10 10 CFCERO CCOc1cccc(C[N@@H+]2CCS[C@@H](C)C2)c1O ZINC000131355411 377700641 /nfs/dbraw/zinc/70/06/41/377700641.db2.gz TZQAFJXVWUNDGL-NSHDSACASA-N 1 0 267.394 2.728 10 10 CFCERO Oc1ccccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000179572459 380559078 /nfs/dbraw/zinc/55/90/78/380559078.db2.gz XCOLTCAJFWINNY-UHFFFAOYSA-N 1 0 271.364 2.501 10 10 CFCERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccc1O ZINC000183606455 381293830 /nfs/dbraw/zinc/29/38/30/381293830.db2.gz VZSNHXTXAJVFBY-KBPBESRZSA-N 1 0 298.390 2.502 10 10 CFCERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(F)ccc1O ZINC000226565477 382830316 /nfs/dbraw/zinc/83/03/16/382830316.db2.gz DNKVFNYAYUKYEH-SWLSCSKDSA-N 1 0 278.371 2.590 10 10 CFCERO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000245548445 383005355 /nfs/dbraw/zinc/00/53/55/383005355.db2.gz XSENZSXVVIVIMV-NVXWUHKLSA-N 1 0 291.391 2.934 10 10 CFCERO Cc1cc(O)c(C[N@@H+]2CCN3CCCC[C@H]3C2)cc1C ZINC000245552609 383006761 /nfs/dbraw/zinc/00/67/61/383006761.db2.gz DFSRDDIMJWOUGY-INIZCTEOSA-N 1 0 274.408 2.679 10 10 CFCERO Cc1cccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1O ZINC000281416495 385193696 /nfs/dbraw/zinc/19/36/96/385193696.db2.gz YRVWLUJGDGDTCQ-CHWSQXEVSA-N 1 0 263.381 2.994 10 10 CFCERO Cc1cccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1O ZINC000281416497 385194043 /nfs/dbraw/zinc/19/40/43/385194043.db2.gz YRVWLUJGDGDTCQ-STQMWFEESA-N 1 0 263.381 2.994 10 10 CFCERO C[C@H](C[NH2+]Cc1ccccc1O)N(C)C(=O)OC(C)(C)C ZINC000282821692 385394316 /nfs/dbraw/zinc/39/43/16/385394316.db2.gz NIHZDPNKFUUNSS-GFCCVEGCSA-N 1 0 294.395 2.737 10 10 CFCERO Nc1ccc(N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000008030979 393467119 /nfs/dbraw/zinc/46/71/19/393467119.db2.gz FEFYCXTXTLNRTM-UHFFFAOYSA-N 1 0 281.403 2.634 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1ccccn1 ZINC000020123469 171004749 /nfs/dbraw/zinc/00/47/49/171004749.db2.gz OZOYNXNWSWMWSY-WDEREUQCSA-N 1 0 258.321 2.905 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cc(O)ccc1O ZINC000020123473 171004982 /nfs/dbraw/zinc/00/49/82/171004982.db2.gz OZOYNXNWSWMWSY-MNOVXSKESA-N 1 0 258.321 2.905 10 10 CFCERO CN(C)C[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000020129300 171017274 /nfs/dbraw/zinc/01/72/74/171017274.db2.gz QHYXOICRVAWYNW-MRXNPFEDSA-N 1 0 270.376 2.785 10 10 CFCERO C[C@H](C[NH2+]Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000020137035 171024448 /nfs/dbraw/zinc/02/44/48/171024448.db2.gz FDZNJCYSXOEFMX-GFCCVEGCSA-N 1 0 257.333 2.991 10 10 CFCERO CN(C)c1ccc([C@H](CN)[N@H+](C)CC(C)(C)C)cc1 ZINC000020226121 171089882 /nfs/dbraw/zinc/08/98/82/171089882.db2.gz AMEYRDJMSWTIFF-HNNXBMFYSA-N 1 0 263.429 2.730 10 10 CFCERO C[C@H]1CCC[C@H](C)[NH+]1CCC(=O)Nc1ccc(N)cc1 ZINC000022211039 171373688 /nfs/dbraw/zinc/37/36/88/171373688.db2.gz GHEIVRGSQCRPPL-STQMWFEESA-N 1 0 275.396 2.860 10 10 CFCERO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](CN)c2ccc(N(C)C)cc2)C1 ZINC000022221307 171378138 /nfs/dbraw/zinc/37/81/38/171378138.db2.gz SQVKGXOMBXNWKR-CPUCHLNUSA-N 1 0 275.440 2.730 10 10 CFCERO CCC[NH+](CCC)[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000038860342 174158303 /nfs/dbraw/zinc/15/83/03/174158303.db2.gz JGIPZHHGXKRGLS-INIZCTEOSA-N 1 0 263.429 2.874 10 10 CFCERO CCC[NH2+][C@H](C)c1ccc(N2CC[C@H](O)C2)c(Cl)c1 ZINC000061710678 520065356 /nfs/dbraw/zinc/06/53/56/520065356.db2.gz XMCPSOGQKPIOMW-YPMHNXCESA-N 1 0 282.815 2.972 10 10 CFCERO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1O ZINC000228671048 522541720 /nfs/dbraw/zinc/54/17/20/522541720.db2.gz DJJGRQJBUPDBNI-CABZTGNLSA-N 1 0 285.771 2.711 10 10 CFCERO CC[NH2+]Cc1ccc(N2CCOCC2(C)C)cc1C ZINC000050583487 519997805 /nfs/dbraw/zinc/99/78/05/519997805.db2.gz XZVDYKSJZKRNLM-UHFFFAOYSA-N 1 0 262.397 2.720 10 10 CFCERO COC[C@H](C)C[NH2+]Cc1c(O)ccc2ccccc21 ZINC000045656492 522579705 /nfs/dbraw/zinc/57/97/05/522579705.db2.gz AWHNWDAVKOSUQQ-GFCCVEGCSA-N 1 0 259.349 2.918 10 10 CFCERO CC[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccccc1O ZINC000156277150 522718244 /nfs/dbraw/zinc/71/82/44/522718244.db2.gz HQABLXPOBVTTRW-QWHCGFSZSA-N 1 0 272.352 2.560 10 10 CFCERO CC[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccccc1O ZINC000156277373 522752584 /nfs/dbraw/zinc/75/25/84/522752584.db2.gz HQABLXPOBVTTRW-STQMWFEESA-N 1 0 272.352 2.560 10 10 CFCERO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1C ZINC000077204460 524071923 /nfs/dbraw/zinc/07/19/23/524071923.db2.gz QUNVBRPHHTXCFC-HUUCEWRRSA-N 1 0 263.381 2.644 10 10 CFCERO COc1ccc(N2CC[C@H](C[NH2+]C(C)C)C2)c(OC)c1 ZINC000053011741 524440376 /nfs/dbraw/zinc/44/03/76/524440376.db2.gz LWWRYMSHLWIICL-CYBMUJFWSA-N 1 0 278.396 2.528 10 10 CFCERO C[C@@H]1COCCN1c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062735821 525129267 /nfs/dbraw/zinc/12/92/67/525129267.db2.gz XHZASLCEHNQKKO-CYBMUJFWSA-N 1 0 262.397 2.800 10 10 CFCERO C[C@H]1CC(C[NH2+]Cc2cc(F)ccc2O)C[C@H](C)O1 ZINC000281337898 526227223 /nfs/dbraw/zinc/22/72/23/526227223.db2.gz SKHCVSPZOALXLS-QWRGUYRKSA-N 1 0 267.344 2.825 10 10 CFCERO CC[C@H]1CN(c2ccc(OC)c(OC)c2)[C@@H](CC)C[NH2+]1 ZINC000083586824 536161017 /nfs/dbraw/zinc/16/10/17/536161017.db2.gz FCOKLKYZELSKLL-STQMWFEESA-N 1 0 278.396 2.671 10 10 CFCERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(OC)c(C)cc1O ZINC000160344590 618014137 /nfs/dbraw/zinc/01/41/37/618014137.db2.gz DQSXNIIGDPYMII-OAHLLOKOSA-N 1 0 292.423 2.625 10 10 CFCERO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000309923192 618895087 /nfs/dbraw/zinc/89/50/87/618895087.db2.gz UCZUDTDAFIKQKJ-XHNCKOQMSA-N 1 0 288.185 2.575 10 10 CFCERO CC[C@@H]([NH3+])c1cc(Br)cc(OC)c1O ZINC000095660183 619164927 /nfs/dbraw/zinc/16/49/27/619164927.db2.gz JNSUZFJDSWYZPJ-MRVPVSSYSA-N 1 0 260.131 2.573 10 10 CFCERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000094617801 619164979 /nfs/dbraw/zinc/16/49/79/619164979.db2.gz ZGDXVCASVABOAG-AAEUAGOBSA-N 1 0 266.360 2.666 10 10 CFCERO COCc1ccccc1C[NH2+]Cc1cccc(F)c1[O-] ZINC000165020121 622200426 /nfs/dbraw/zinc/20/04/26/622200426.db2.gz HKFPFNABUVLEKO-UHFFFAOYSA-N 1 0 275.323 2.968 10 10 CFCERO CN1CCCc2cc(C[NH2+]C[C@@H](O)C(C)(C)C)ccc21 ZINC000324644455 624186080 /nfs/dbraw/zinc/18/60/80/624186080.db2.gz YKTDOZOMZHOFAW-MRXNPFEDSA-N 1 0 276.424 2.566 10 10 CFCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000179670895 624971641 /nfs/dbraw/zinc/97/16/41/624971641.db2.gz ZNEXPFLQLSDNDG-PBQZTSCYSA-N 1 0 299.370 2.710 10 10 CFCERO Cc1cc(O)c([C@@H]([NH3+])CF)c(C)c1Br ZINC000238474019 348246531 /nfs/dbraw/zinc/24/65/31/348246531.db2.gz ZRMQEQKXEDHCAQ-ZETCQYMHSA-N 1 0 262.122 2.741 10 10 CFCERO C[N@H+](CCCOc1ccc(N)cc1)CCc1ccc(N)cc1 ZINC000584594919 348683206 /nfs/dbraw/zinc/68/32/06/348683206.db2.gz DZXNMXVQXAAAAB-UHFFFAOYSA-N 1 0 299.418 2.794 10 10 CFCERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000223852729 299417319 /nfs/dbraw/zinc/41/73/19/299417319.db2.gz NIHCHWQLCJDEAD-LXZKKBNFSA-N 1 0 276.424 2.954 10 10 CFCERO COc1ccc(C2=[NH+]CCCN2c2ccc(N)cc2)cc1 ZINC000011847816 371931355 /nfs/dbraw/zinc/93/13/55/371931355.db2.gz JTYPRZLFVKJBIS-UHFFFAOYSA-N 1 0 281.359 2.934 10 10 CFCERO Cc1ccc(C2=[NH+]CCN2c2ccc(N)cc2)cc1 ZINC000011847807 371932402 /nfs/dbraw/zinc/93/24/02/371932402.db2.gz DSBVYXSIUQCHAM-UHFFFAOYSA-N 1 0 251.333 2.844 10 10 CFCERO [NH3+][C@H]1Cc2cc(O)c(O)cc2[C@@H](c2ccccc2)C1 ZINC000026572113 372324690 /nfs/dbraw/zinc/32/46/90/372324690.db2.gz SSUNCBAILFPJRJ-QWHCGFSZSA-N 1 0 255.317 2.503 10 10 CFCERO CC1(C)CC(=O)Oc2c1ccc(O)c2C[NH+]1CCCCC1 ZINC000095936021 375462584 /nfs/dbraw/zinc/46/25/84/375462584.db2.gz FHWFJRFXANKEIV-UHFFFAOYSA-N 1 0 289.375 2.965 10 10 CFCERO Cc1cc(O)c(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000153207871 378480174 /nfs/dbraw/zinc/48/01/74/378480174.db2.gz DNPWAFBHHLSETL-GOEBONIOSA-N 1 0 274.408 2.678 10 10 CFCERO Cc1cc(O)c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000153207761 378480852 /nfs/dbraw/zinc/48/08/52/378480852.db2.gz DNPWAFBHHLSETL-HOCLYGCPSA-N 1 0 274.408 2.678 10 10 CFCERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000180130942 380621617 /nfs/dbraw/zinc/62/16/17/380621617.db2.gz MADKAYRSOQJSKO-INIZCTEOSA-N 1 0 285.391 2.870 10 10 CFCERO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccccc1O ZINC000183552273 381287553 /nfs/dbraw/zinc/28/75/53/381287553.db2.gz JJPLLDLIWRLDJC-DGCLKSJQSA-N 1 0 286.379 2.732 10 10 CFCERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297634826 381567754 /nfs/dbraw/zinc/56/77/54/381567754.db2.gz JNADMNMUNCYYAK-CABCVRRESA-N 1 0 276.424 2.945 10 10 CFCERO OC[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1c1ccsc1 ZINC000190283212 382660687 /nfs/dbraw/zinc/66/06/87/382660687.db2.gz JYUULGVYJYUVBU-GJZGRUSLSA-N 1 0 289.400 2.662 10 10 CFCERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(C)c1O ZINC000248406600 383237180 /nfs/dbraw/zinc/23/71/80/383237180.db2.gz BYZDKRLFMLHAAQ-HOTGVXAUSA-N 1 0 274.408 2.759 10 10 CFCERO Oc1ccc(C[NH2+]CCCc2ccccc2)cc1O ZINC000020122697 171003646 /nfs/dbraw/zinc/00/36/46/171003646.db2.gz JOOZDJGMOADGQE-UHFFFAOYSA-N 1 0 257.333 2.820 10 10 CFCERO Oc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1O ZINC000020129691 171018033 /nfs/dbraw/zinc/01/80/33/171018033.db2.gz YFIAXGZCGFPWTM-AWEZNQCLSA-N 1 0 255.317 2.875 10 10 CFCERO CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1O)N(C)C ZINC000020145614 171030756 /nfs/dbraw/zinc/03/07/56/171030756.db2.gz PYVUGHXVRVMIMP-JSGCOSHPSA-N 1 0 250.386 2.629 10 10 CFCERO Oc1ccc(C[NH2+][C@@H]2CCCc3occc32)c(O)c1 ZINC000020204125 171069350 /nfs/dbraw/zinc/06/93/50/171069350.db2.gz XUERJYDXLMGRHU-CYBMUJFWSA-N 1 0 259.305 2.858 10 10 CFCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000020207098 171071270 /nfs/dbraw/zinc/07/12/70/171071270.db2.gz JSWAZCLCWIIPLE-ZETOZRRWSA-N 1 0 265.353 2.619 10 10 CFCERO CC1CC[NH+](CCCC(=O)Nc2ccc(N)cc2)CC1 ZINC000022154842 171361673 /nfs/dbraw/zinc/36/16/73/171361673.db2.gz UGHJTDIGCDEFBG-UHFFFAOYSA-N 1 0 275.396 2.719 10 10 CFCERO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccc(N)cc2)C1 ZINC000022221970 171378641 /nfs/dbraw/zinc/37/86/41/171378641.db2.gz IHHXMERGFUYNEY-CHWSQXEVSA-N 1 0 275.396 2.575 10 10 CFCERO CCN(CC)c1ccc([C@@H](C[NH3+])N2CCCC2)cc1 ZINC000039789117 174172948 /nfs/dbraw/zinc/17/29/48/174172948.db2.gz JJTWEXUWESYUCE-MRXNPFEDSA-N 1 0 261.413 2.628 10 10 CFCERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(C)cc2O)c1 ZINC000185843518 262309695 /nfs/dbraw/zinc/30/96/95/262309695.db2.gz JHNWHUSGZJSQHP-CYBMUJFWSA-N 1 0 259.353 2.556 10 10 CFCERO CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000165028697 518708124 /nfs/dbraw/zinc/70/81/24/518708124.db2.gz GDOWCCPPUQJBSO-UHFFFAOYSA-N 1 0 280.387 2.884 10 10 CFCERO CC[NH2+]Cc1ccc(N(CC)[C@H](C)COC)c(C)c1 ZINC000050562198 519997969 /nfs/dbraw/zinc/99/79/69/519997969.db2.gz IQSCQBQWVWUDCW-CQSZACIVSA-N 1 0 264.413 2.966 10 10 CFCERO CCOC1CCN(c2ccc(C[NH3+])c(Cl)c2)CC1 ZINC000061845944 521657770 /nfs/dbraw/zinc/65/77/70/521657770.db2.gz BSNJVUCVOQSOQG-UHFFFAOYSA-N 1 0 268.788 2.804 10 10 CFCERO COc1ccc(N2CC[C@@H](C[NH2+]C(C)C)C2)c(OC)c1 ZINC000053011739 524440025 /nfs/dbraw/zinc/44/00/25/524440025.db2.gz LWWRYMSHLWIICL-ZDUSSCGKSA-N 1 0 278.396 2.528 10 10 CFCERO C[C@H]([NH3+])c1ccc(N2CCC(CO)CC2)c(Cl)c1 ZINC000061694651 524865179 /nfs/dbraw/zinc/86/51/79/524865179.db2.gz VBFSTZLNHFBUKV-JTQLQIEISA-N 1 0 268.788 2.568 10 10 CFCERO Cc1cc(N2CCSCC2)ccc1C[NH2+]C1CC1 ZINC000050581623 525088465 /nfs/dbraw/zinc/08/84/65/525088465.db2.gz XIHVHUFYNLTWJK-UHFFFAOYSA-N 1 0 262.422 2.800 10 10 CFCERO Cc1ccc(O)c(C[NH2+]C[C@@H](c2ccco2)N(C)C)c1 ZINC000071406350 525350447 /nfs/dbraw/zinc/35/04/47/525350447.db2.gz XQCVUULOCOAVAO-AWEZNQCLSA-N 1 0 274.364 2.686 10 10 CFCERO COc1cccc(C[NH2+][C@@H]2COc3ccccc32)c1O ZINC000070070135 526034645 /nfs/dbraw/zinc/03/46/45/526034645.db2.gz VFLQTOKOBNEURP-CYBMUJFWSA-N 1 0 271.316 2.624 10 10 CFCERO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245967964 526349159 /nfs/dbraw/zinc/34/91/59/526349159.db2.gz NPINTIQFINFXQE-HIFRSBDPSA-N 1 0 265.328 2.675 10 10 CFCERO COc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)cc1F ZINC000083493161 536708548 /nfs/dbraw/zinc/70/85/48/536708548.db2.gz XWXKOCQNGLJERA-FZMZJTMJSA-N 1 0 266.360 2.657 10 10 CFCERO C[C@H](c1ccc(N(C)C)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312272905 618915769 /nfs/dbraw/zinc/91/57/69/618915769.db2.gz IQASYWIFCDNQFX-CKEIUWERSA-N 1 0 275.440 2.730 10 10 CFCERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(C)cc(C)c1O ZINC000164444916 622956437 /nfs/dbraw/zinc/95/64/37/622956437.db2.gz PRGOGUYDDVBUFL-MRXNPFEDSA-N 1 0 276.424 2.925 10 10 CFCERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000245918595 625010932 /nfs/dbraw/zinc/01/09/32/625010932.db2.gz ZGDXVCASVABOAG-DGCLKSJQSA-N 1 0 266.360 2.666 10 10 CFCERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(N(C)C)cc1 ZINC000248419222 650933114 /nfs/dbraw/zinc/93/31/14/650933114.db2.gz UTTXXSHIWGVCEC-WMZOPIPTSA-N 1 0 287.451 2.811 10 10 CFCERO Oc1cc2c(cc1CN1CC[N@@H+]3CCC[C@H]3C1)CCCC2 ZINC000252734231 651022480 /nfs/dbraw/zinc/02/24/80/651022480.db2.gz HUUBJLPVIGPPBL-KRWDZBQOSA-N 1 0 286.419 2.551 10 10 CFCERO C[NH2+][C@@H](C)c1ccc(N(C)C)c(Br)c1 ZINC000061694504 346681771 /nfs/dbraw/zinc/68/17/71/346681771.db2.gz VPPAPIDOYCDHIY-QMMMGPOBSA-N 1 0 257.175 2.796 10 10 CFCERO C[C@H]1CN(c2ccc(OC(F)(F)F)cc2)C[C@H](C)[NH2+]1 ZINC000116273466 347786126 /nfs/dbraw/zinc/78/61/26/347786126.db2.gz XQMAEZIPLCUNLL-UWVGGRQHSA-N 1 0 274.286 2.772 10 10 CFCERO Cc1cc(Br)cc([C@@H]2CCC[NH2+]2)c1O ZINC000238531730 348246663 /nfs/dbraw/zinc/24/66/63/348246663.db2.gz LFYAUHRJESDAPO-JTQLQIEISA-N 1 0 256.143 2.888 10 10 CFCERO CCOc1cc(C)c(N(C)CCC[NH3+])cc1Cl ZINC000107296418 186168091 /nfs/dbraw/zinc/16/80/91/186168091.db2.gz XPCZUCRSXMZDRK-UHFFFAOYSA-N 1 0 256.777 2.832 10 10 CFCERO COc1cccc(C[NH+]2CCN(c3ccc(N)cc3)CC2)c1 ZINC000011756073 371927725 /nfs/dbraw/zinc/92/77/25/371927725.db2.gz FVGIIMIPHRHZOE-UHFFFAOYSA-N 1 0 297.402 2.600 10 10 CFCERO Oc1cc2c(c(F)c1O)CC[NH2+]C[C@@H]2c1ccccc1 ZINC000026386733 372318486 /nfs/dbraw/zinc/31/84/86/372318486.db2.gz LXZIBTPIJYEOGH-CYBMUJFWSA-N 1 0 273.307 2.515 10 10 CFCERO COc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1O ZINC000093585805 375270010 /nfs/dbraw/zinc/27/00/10/375270010.db2.gz AWOVAXRUPXRDRI-PBHICJAKSA-N 1 0 291.391 2.528 10 10 CFCERO CC(C)(C)[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000113342646 376011240 /nfs/dbraw/zinc/01/12/40/376011240.db2.gz MVNYWVGGXRYYDN-LBPRGKRZSA-N 1 0 257.761 2.542 10 10 CFCERO CCOc1ccc(O)c(CN(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000123439315 376954223 /nfs/dbraw/zinc/95/42/23/376954223.db2.gz YZGRQQYYAJAHHU-HNNXBMFYSA-N 1 0 292.423 2.707 10 10 CFCERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)cn1 ZINC000180074371 380618472 /nfs/dbraw/zinc/61/84/72/380618472.db2.gz GUFNXHZIRFNNMO-CQSZACIVSA-N 1 0 275.327 2.602 10 10 CFCERO Cc1cc(Cl)cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000180147647 380625030 /nfs/dbraw/zinc/62/50/30/380625030.db2.gz NQRZGSAHRYIUPU-CQSZACIVSA-N 1 0 280.799 2.634 10 10 CFCERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccccc1O ZINC000183552257 381287826 /nfs/dbraw/zinc/28/78/26/381287826.db2.gz JJPLLDLIWRLDJC-YPMHNXCESA-N 1 0 286.379 2.732 10 10 CFCERO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(Cl)ccc1O ZINC000185662490 381697529 /nfs/dbraw/zinc/69/75/29/381697529.db2.gz XGWFYFIZWMOOKV-JOYOIKCWSA-N 1 0 292.770 2.823 10 10 CFCERO CC(C)[NH2+]Cc1ccc(N(CCO)C(C)C)c(F)c1 ZINC000042480243 184553411 /nfs/dbraw/zinc/55/34/11/184553411.db2.gz MTLARTNYOBMFGQ-UHFFFAOYSA-N 1 0 268.376 2.531 10 10 CFCERO CC[C@@H]1CN(c2ccc(OC(F)F)cc2)[C@H](C)C[NH2+]1 ZINC000083517135 135026040 /nfs/dbraw/zinc/02/60/40/135026040.db2.gz AQKZFYQIEQIOPB-GHMZBOCLSA-N 1 0 270.323 2.865 10 10 CFCERO CC(C)OCCC[NH2+][C@H](C)c1cc(O)ccc1O ZINC000020198114 171062046 /nfs/dbraw/zinc/06/20/46/171062046.db2.gz NSOWZAHLDAEHHB-LLVKDONJSA-N 1 0 253.342 2.564 10 10 CFCERO CC[N@H+](CC(=O)Nc1ccc(N)cc1)Cc1ccccc1 ZINC000020486117 171224958 /nfs/dbraw/zinc/22/49/58/171224958.db2.gz PMQADTSIYIMVPW-UHFFFAOYSA-N 1 0 283.375 2.729 10 10 CFCERO Oc1ccc(C[C@@H]2[NH2+]CCc3ccccc32)cc1O ZINC000020677054 171270083 /nfs/dbraw/zinc/27/00/83/171270083.db2.gz VWTDJIDABVMGQN-AWEZNQCLSA-N 1 0 255.317 2.527 10 10 CFCERO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2ccc(N)cc2)C1 ZINC000022221972 171378800 /nfs/dbraw/zinc/37/88/00/171378800.db2.gz IHHXMERGFUYNEY-BETUJISGSA-N 1 0 275.396 2.575 10 10 CFCERO Cc1cccc([C@H]2C[NH2+]CCc3cc(O)c(O)cc32)c1 ZINC000026287744 171478626 /nfs/dbraw/zinc/47/86/26/171478626.db2.gz WDOYOIUIRFMZEZ-OAHLLOKOSA-N 1 0 269.344 2.684 10 10 CFCERO COc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c(O)c1 ZINC000038028713 174016949 /nfs/dbraw/zinc/01/69/49/174016949.db2.gz RAHJZNHRAOIVME-KGLIPLIRSA-N 1 0 292.423 2.926 10 10 CFCERO COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)c(O)c1 ZINC000038095960 174110110 /nfs/dbraw/zinc/11/01/10/174110110.db2.gz QMBGUXLQQWNHKC-RYUDHWBXSA-N 1 0 265.353 2.621 10 10 CFCERO CCN(CC)c1ccc([C@H](CN)[NH+](CC)CC)cc1 ZINC000039789112 174173086 /nfs/dbraw/zinc/17/30/86/174173086.db2.gz YHCMYBALQPDTBK-INIZCTEOSA-N 1 0 263.429 2.874 10 10 CFCERO CC[C@H](C)N(CCOC)c1ccc(C[NH2+]C)cc1F ZINC000042588606 174810060 /nfs/dbraw/zinc/81/00/60/174810060.db2.gz NCQQDMVUTKLIAR-LBPRGKRZSA-N 1 0 268.376 2.796 10 10 CFCERO CC[C@@H](C)N(CCOC)c1ccc(C[NH2+]C)cc1F ZINC000042588603 174810463 /nfs/dbraw/zinc/81/04/63/174810463.db2.gz NCQQDMVUTKLIAR-GFCCVEGCSA-N 1 0 268.376 2.796 10 10 CFCERO COc1ccc(N(CC[NH3+])CC(C)C)cc1Cl ZINC000076663557 177050030 /nfs/dbraw/zinc/05/00/30/177050030.db2.gz YNFQMJCMWIMJAI-UHFFFAOYSA-N 1 0 256.777 2.770 10 10 CFCERO C[C@@H](c1cc(O)ccc1O)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032450 274275979 /nfs/dbraw/zinc/27/59/79/274275979.db2.gz QSBHFERXDXPAFL-NSHDSACASA-N 1 0 284.359 2.799 10 10 CFCERO CC[C@H]1CN(c2ccc(OC)c(Cl)c2)CC[NH2+]1 ZINC000083407681 536160321 /nfs/dbraw/zinc/16/03/21/536160321.db2.gz YTTVYZYGFQICKO-JTQLQIEISA-N 1 0 254.761 2.537 10 10 CFCERO CC[NH2+]Cc1ccc(N2CCOCC2(C)C)c(C)c1 ZINC000050561322 519998266 /nfs/dbraw/zinc/99/82/66/519998266.db2.gz XDBKGXRTFRHGMG-UHFFFAOYSA-N 1 0 262.397 2.720 10 10 CFCERO CCO[C@@H]1CCCN(c2ccc(C[NH2+]C)c(C)c2)C1 ZINC000050584239 520323137 /nfs/dbraw/zinc/32/31/37/520323137.db2.gz QPGDYYOVYAVCLF-MRXNPFEDSA-N 1 0 262.397 2.720 10 10 CFCERO C[NH2+]CC1(CN(C)c2ccc(OC)cc2)CCCC1 ZINC000051253155 521968758 /nfs/dbraw/zinc/96/87/58/521968758.db2.gz PPQGREDWQNJZCL-UHFFFAOYSA-N 1 0 262.397 2.911 10 10 CFCERO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2CCCO2)c1O ZINC000228671080 522541870 /nfs/dbraw/zinc/54/18/70/522541870.db2.gz DJJGRQJBUPDBNI-BXKDBHETSA-N 1 0 285.771 2.711 10 10 CFCERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc(F)ccc1O ZINC000300416027 524683812 /nfs/dbraw/zinc/68/38/12/524683812.db2.gz DNKVFNYAYUKYEH-WFASDCNBSA-N 1 0 278.371 2.590 10 10 CFCERO C[C@@H]([NH3+])c1ccc(N2CCOC[C@H]2C)c(Br)c1 ZINC000061695179 525027186 /nfs/dbraw/zinc/02/71/86/525027186.db2.gz PPJQTLCYNBWPEI-NXEZZACHSA-N 1 0 299.212 2.694 10 10 CFCERO Cc1ccc(O)c(C[NH2+]C[C@H](c2ccco2)N(C)C)c1 ZINC000071406351 525350653 /nfs/dbraw/zinc/35/06/53/525350653.db2.gz XQCVUULOCOAVAO-CQSZACIVSA-N 1 0 274.364 2.686 10 10 CFCERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)c(O)c1 ZINC000273359537 525732110 /nfs/dbraw/zinc/73/21/10/525732110.db2.gz AFALEOOXLVRLJU-RISCZKNCSA-N 1 0 251.370 2.758 10 10 CFCERO Cc1ccc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000042879872 525927445 /nfs/dbraw/zinc/92/74/45/525927445.db2.gz JIGPVUVNDXDKIE-JTQLQIEISA-N 1 0 275.304 2.873 10 10 CFCERO Cc1nc(C[C@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC000057548798 526921658 /nfs/dbraw/zinc/92/16/58/526921658.db2.gz LLCROAOWRMHSHS-AWEZNQCLSA-N 1 0 261.394 2.760 10 10 CFCERO COc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)cc1OC ZINC000083586646 536707715 /nfs/dbraw/zinc/70/77/15/536707715.db2.gz IGCTXGQDZWPFRE-JSGCOSHPSA-N 1 0 278.396 2.527 10 10 CFCERO CC[C@H]([NH3+])c1cc(Br)cc(OC)c1O ZINC000095673401 619165354 /nfs/dbraw/zinc/16/53/54/619165354.db2.gz JNSUZFJDSWYZPJ-QMMMGPOBSA-N 1 0 260.131 2.573 10 10 CFCERO CCC[C@@H]([NH3+])c1cc(Br)cc(OC)c1O ZINC000095779715 619167808 /nfs/dbraw/zinc/16/78/08/619167808.db2.gz VIRJTSFTAIIGLQ-SECBINFHSA-N 1 0 274.158 2.963 10 10 CFCERO COc1cc(C)cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1O ZINC000164141741 622940180 /nfs/dbraw/zinc/94/01/80/622940180.db2.gz YHLSFVHEWDIYEE-GJZGRUSLSA-N 1 0 291.391 2.853 10 10 CFCERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(C)cc(OC)c1O ZINC000164445186 622956298 /nfs/dbraw/zinc/95/62/98/622956298.db2.gz AUAVEHUINBWRQT-OAHLLOKOSA-N 1 0 292.423 2.625 10 10 CFCERO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000171606537 623233760 /nfs/dbraw/zinc/23/37/60/623233760.db2.gz SFTNTYXLQYFFGO-NSHDSACASA-N 1 0 263.406 2.818 10 10 CFCERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(N(C)C)cc1 ZINC000123361275 641102168 /nfs/dbraw/zinc/10/21/68/641102168.db2.gz CQHBJZAOOKCSPM-KRWDZBQOSA-N 1 0 275.440 2.669 10 10 CFCERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000249615219 650964607 /nfs/dbraw/zinc/96/46/07/650964607.db2.gz WSAZNLFKKRHREV-ZIAGYGMSSA-N 1 0 262.397 2.836 10 10 CFCERO Cc1ccc([C@H]2C[NH2+]CCc3cc(O)c(O)cc32)cc1 ZINC000026279348 346263958 /nfs/dbraw/zinc/26/39/58/346263958.db2.gz WJMADXZTZHFLMN-OAHLLOKOSA-N 1 0 269.344 2.684 10 10 CFCERO COc1ccc(N2CC[NH2+][C@H](C)CC2)cc1Cl ZINC000084594952 539849467 /nfs/dbraw/zinc/84/94/67/539849467.db2.gz NZMFSSMCRRJUIW-SNVBAGLBSA-N 1 0 254.761 2.537 10 10 CFCERO [NH3+]C[C@H](Sc1nccs1)C(F)(F)C(F)(F)F ZINC000616571296 352372127 /nfs/dbraw/zinc/37/21/27/352372127.db2.gz WUMWFYCSPGRJJL-BYPYZUCNSA-N 1 0 278.271 2.760 10 10 CFCERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179572702 380558877 /nfs/dbraw/zinc/55/88/77/380558877.db2.gz AVHKPOWXKHNVFQ-HNNXBMFYSA-N 1 0 285.391 2.988 10 10 CFCERO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000180262774 380640308 /nfs/dbraw/zinc/64/03/08/380640308.db2.gz RSECCCCCNOLDDX-OAHLLOKOSA-N 1 0 287.363 2.851 10 10 CFCERO Oc1ccc(F)cc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000180040002 380613683 /nfs/dbraw/zinc/61/36/83/380613683.db2.gz CPINRFJMOLEEHH-UHFFFAOYSA-N 1 0 275.327 2.634 10 10 CFCERO Cc1cccc(C[NH+]2CCC(Nc3cccnn3)CC2)c1O ZINC000180079532 380617636 /nfs/dbraw/zinc/61/76/36/380617636.db2.gz PFNGUYWFJHQANC-UHFFFAOYSA-N 1 0 298.390 2.567 10 10 CFCERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)[C@@H](C)C1 ZINC000186101869 381823030 /nfs/dbraw/zinc/82/30/30/381823030.db2.gz MWGRAKQFRWRWJN-HUBLWGQQSA-N 1 0 280.387 2.911 10 10 CFCERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C)c1O ZINC000182076210 393506735 /nfs/dbraw/zinc/50/67/35/393506735.db2.gz BYZDKRLFMLHAAQ-HZPDHXFCSA-N 1 0 274.408 2.759 10 10 CFCERO CC[C@@H]1CN(c2ccc(OC)c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000083511843 135025595 /nfs/dbraw/zinc/02/55/95/135025595.db2.gz HJAJUKPFQRAACD-GHMZBOCLSA-N 1 0 268.788 2.925 10 10 CFCERO CCOc1ccc2c(c1)[C@]1(C)CC[N+](C)(C)[C@@H]1N2C ZINC000575129587 335070491 /nfs/dbraw/zinc/07/04/91/335070491.db2.gz UXTBLQVGSNRQDS-HOTGVXAUSA-N 1 0 261.389 2.599 10 10 CFCERO C[C@@]1(c2cc(Cl)ccc2O)NNC2=C(CCCC2)[N+]1=O ZINC000005211870 170076827 /nfs/dbraw/zinc/07/68/27/170076827.db2.gz ZERPBGYFYINPFQ-CQSZACIVSA-N 1 0 293.754 2.703 10 10 CFCERO C=COCCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037239168 173055785 /nfs/dbraw/zinc/05/57/85/173055785.db2.gz MHUKZUBLKADALD-UHFFFAOYSA-N 1 0 260.381 2.927 10 10 CFCERO CC[C@@H](c1cc(Br)ccc1O)N1CC[NH2+]CC1 ZINC000038086709 174097709 /nfs/dbraw/zinc/09/77/09/174097709.db2.gz KQXJXSAUHMVUGU-LBPRGKRZSA-N 1 0 299.212 2.511 10 10 CFCERO Cc1csc(C[NH2+][C@@H](C)c2ccc(O)cc2O)n1 ZINC000038090622 174103740 /nfs/dbraw/zinc/10/37/40/174103740.db2.gz GQLVKIMQCYEJFA-VIFPVBQESA-N 1 0 264.350 2.714 10 10 CFCERO COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCO2)c(O)c1 ZINC000038095962 174110076 /nfs/dbraw/zinc/11/00/76/174110076.db2.gz QMBGUXLQQWNHKC-NWDGAFQWSA-N 1 0 265.353 2.621 10 10 CFCERO C[C@@H]([NH2+]CCOc1ccc(N)cc1)c1ccccc1 ZINC000041326928 174523084 /nfs/dbraw/zinc/52/30/84/174523084.db2.gz XZRCEUHRDNVMIW-CYBMUJFWSA-N 1 0 256.349 2.998 10 10 CFCERO C[C@@H](c1ccc(O)cc1O)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032501 274276933 /nfs/dbraw/zinc/27/69/33/274276933.db2.gz VYJJHSGBDUSRTG-NSHDSACASA-N 1 0 284.359 2.799 10 10 CFCERO CN(C)c1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000070070273 276883825 /nfs/dbraw/zinc/88/38/25/276883825.db2.gz WGNNBJOPOHYONN-MRXNPFEDSA-N 1 0 268.360 2.976 10 10 CFCERO CC(C)Oc1ccc(N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000054627850 519780354 /nfs/dbraw/zinc/78/03/54/519780354.db2.gz BAJQGTNZRDWDJK-LQDVMPOASA-N 1 0 260.381 2.932 10 10 CFCERO CC[NH2+]Cc1ccc(N(CC)CCOC)c(C)c1 ZINC000050561601 519997526 /nfs/dbraw/zinc/99/75/26/519997526.db2.gz ZUOADOCZIDEHSP-UHFFFAOYSA-N 1 0 250.386 2.577 10 10 CFCERO CCCN(C)c1ccc(C[NH2+]CCOC)c(C)c1 ZINC000062735309 521520497 /nfs/dbraw/zinc/52/04/97/521520497.db2.gz ROFYNLJTENTDAH-UHFFFAOYSA-N 1 0 250.386 2.577 10 10 CFCERO CCCN(CC1CCOCC1)c1ccc(C[NH3+])cc1 ZINC000052171510 521628696 /nfs/dbraw/zinc/62/86/96/521628696.db2.gz PWUSOXCGBDFZST-UHFFFAOYSA-N 1 0 262.397 2.788 10 10 CFCERO CCCN(Cc1cnn(C)c1C)c1ccc(C[NH3+])cc1 ZINC000278377442 521691726 /nfs/dbraw/zinc/69/17/26/521691726.db2.gz LHMKLNDTFUPZJH-UHFFFAOYSA-N 1 0 272.396 2.604 10 10 CFCERO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1O ZINC000229054018 522539882 /nfs/dbraw/zinc/53/98/82/522539882.db2.gz RBXVTCFBAHDCMZ-CHWSQXEVSA-N 1 0 299.798 2.837 10 10 CFCERO CN(CCc1ccncc1)c1ccc(C[NH3+])c(Cl)c1 ZINC000061845903 522981249 /nfs/dbraw/zinc/98/12/49/522981249.db2.gz JPOPVKQOGPKPAH-UHFFFAOYSA-N 1 0 275.783 2.873 10 10 CFCERO COc1ccc(N2CC[C@@H](C[NH2+]C3CC3)C2)cc1Cl ZINC000053011772 524441579 /nfs/dbraw/zinc/44/15/79/524441579.db2.gz WYYUICVPNJIQTC-NSHDSACASA-N 1 0 280.799 2.927 10 10 CFCERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)c(O)c1 ZINC000085972905 525921997 /nfs/dbraw/zinc/92/19/97/525921997.db2.gz QXQUJISCGIZCNG-YDHLFZDLSA-N 1 0 263.381 2.902 10 10 CFCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)c(O)c1 ZINC000185507613 525945616 /nfs/dbraw/zinc/94/56/16/525945616.db2.gz IXDPHZYUZYBRQI-GUTXKFCHSA-N 1 0 263.381 2.902 10 10 CFCERO COc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1O ZINC000245687394 525952232 /nfs/dbraw/zinc/95/22/32/525952232.db2.gz AWOVAXRUPXRDRI-WMLDXEAASA-N 1 0 291.391 2.528 10 10 CFCERO Fc1cc(C[NH2+]C2CC2)cc(F)c1N1CCSCC1 ZINC000062709927 526296446 /nfs/dbraw/zinc/29/64/46/526296446.db2.gz JNDVOTPBOWPOFY-UHFFFAOYSA-N 1 0 284.375 2.770 10 10 CFCERO Oc1ccc(F)cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245909864 526348211 /nfs/dbraw/zinc/34/82/11/526348211.db2.gz FSPCDAKWMVGWDJ-BBRMVZONSA-N 1 0 279.355 2.658 10 10 CFCERO Oc1ccc2ccccc2c1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000156684342 526355956 /nfs/dbraw/zinc/35/59/56/526355956.db2.gz QTKNTKBPQWUOOD-VMGRFDJRSA-N 1 0 269.344 2.955 10 10 CFCERO [NH3+]Cc1ccc(N2CCCC[C@@H]2CCO)c(Cl)c1 ZINC000062792823 527254950 /nfs/dbraw/zinc/25/49/50/527254950.db2.gz RWRBAOCHTWQWAY-GFCCVEGCSA-N 1 0 268.788 2.540 10 10 CFCERO [NH3+]Cc1ccc(N2CCO[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000062793126 527255518 /nfs/dbraw/zinc/25/55/18/527255518.db2.gz PTBJHZONTZJZBW-LSDHHAIUSA-N 1 0 280.799 2.947 10 10 CFCERO COc1ccc(N2CC[NH2+][C@@H](C(C)C)C2)cc1Cl ZINC000083511789 536705272 /nfs/dbraw/zinc/70/52/72/536705272.db2.gz VXVLNNXVLGORGW-CYBMUJFWSA-N 1 0 268.788 2.783 10 10 CFCERO C[C@H](O)C1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000160246598 617687522 /nfs/dbraw/zinc/68/75/22/617687522.db2.gz WORRZTBKKJULSW-ZDUSSCGKSA-N 1 0 289.419 2.864 10 10 CFCERO COc1cc(C)cc(C[N@@H+]2CCS[C@@H](C)C2)c1O ZINC000164295457 622948669 /nfs/dbraw/zinc/94/86/69/622948669.db2.gz HKZHKGQNZLAGST-NSHDSACASA-N 1 0 267.394 2.647 10 10 CFCERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(N(C)C)cc1 ZINC000123361050 641102139 /nfs/dbraw/zinc/10/21/39/641102139.db2.gz CQHBJZAOOKCSPM-QGZVFWFLSA-N 1 0 275.440 2.669 10 10 CFCERO Cc1cc(C)c(O)c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000246395915 650866676 /nfs/dbraw/zinc/86/66/76/650866676.db2.gz HRPMOEYQJWANNZ-GDBMZVCRSA-N 1 0 274.408 2.678 10 10 CFCERO Cc1ccc(Br)c([C@H]2CCC[NH2+]2)c1O ZINC000217852173 348165856 /nfs/dbraw/zinc/16/58/56/348165856.db2.gz JDGNUHXKIVSQOL-SECBINFHSA-N 1 0 256.143 2.888 10 10 CFCERO Cc1ccc(Br)c([C@@H]2CCC[NH2+]2)c1O ZINC000217852089 348165866 /nfs/dbraw/zinc/16/58/66/348165866.db2.gz JDGNUHXKIVSQOL-VIFPVBQESA-N 1 0 256.143 2.888 10 10 CFCERO Oc1ccc(C[NH2+]CCOC2CCCCC2)c(O)c1 ZINC000104447268 186005288 /nfs/dbraw/zinc/00/52/88/186005288.db2.gz VVWCMGQLZVJWOF-UHFFFAOYSA-N 1 0 265.353 2.537 10 10 CFCERO Cc1cccc(C[NH2+][C@H](CC(C)C)CN(C)C)c1O ZINC000124800792 377090065 /nfs/dbraw/zinc/09/00/65/377090065.db2.gz NAZLFLVTDAXTTF-OAHLLOKOSA-N 1 0 264.413 2.767 10 10 CFCERO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000179942908 380602175 /nfs/dbraw/zinc/60/21/75/380602175.db2.gz NPINTIQFINFXQE-ZFWWWQNUSA-N 1 0 265.328 2.675 10 10 CFCERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cc(F)ccc1O ZINC000185508056 381652870 /nfs/dbraw/zinc/65/28/70/381652870.db2.gz OSMIGGLBKYAVTI-WDMOLILDSA-N 1 0 267.344 2.733 10 10 CFCERO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(Cl)ccc1O ZINC000185662526 381697794 /nfs/dbraw/zinc/69/77/94/381697794.db2.gz XGWFYFIZWMOOKV-CABZTGNLSA-N 1 0 292.770 2.823 10 10 CFCERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000186101851 381822716 /nfs/dbraw/zinc/82/27/16/381822716.db2.gz MWGRAKQFRWRWJN-XUJVJEKNSA-N 1 0 280.387 2.911 10 10 CFCERO [NH3+][C@H](CC(F)F)c1ccc(Br)cc1O ZINC000575437660 382770979 /nfs/dbraw/zinc/77/09/79/382770979.db2.gz MTCZDWVDVWGIFJ-SSDOTTSWSA-N 1 0 266.085 2.810 10 10 CFCERO [NH3+]CCCC[C@@H]([NH3+])c1c([O-])cc(Cl)cc1Cl ZINC000575439648 382771431 /nfs/dbraw/zinc/77/14/31/382771431.db2.gz TTZFJKVIKIZQKY-SECBINFHSA-N 1 0 263.168 2.828 10 10 CFCERO Oc1ccc2ccccc2c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246911351 383120290 /nfs/dbraw/zinc/12/02/90/383120290.db2.gz CLFIZTAOSMFFKF-HNNXBMFYSA-N 1 0 282.387 2.825 10 10 CFCERO COc1ccc(O)c(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000281311024 385189065 /nfs/dbraw/zinc/18/90/65/385189065.db2.gz QJWUVDCBTYPRLA-VXGBXAGGSA-N 1 0 279.380 2.694 10 10 CFCERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C[C@H](C)O1 ZINC000282180888 385239789 /nfs/dbraw/zinc/23/97/89/385239789.db2.gz KBBBPBJNBSRRHH-AGGWBTHJSA-N 1 0 275.392 2.915 10 10 CFCERO CCOc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1OCC ZINC000083586527 135030088 /nfs/dbraw/zinc/03/00/88/135030088.db2.gz CXVOPBCGHARKBH-OLZOCXBDSA-N 1 0 278.396 2.671 10 10 CFCERO C[C@]1(c2cc(Cl)ccc2O)NNC2=C(CCCC2)[N+]1=O ZINC000005211588 170076614 /nfs/dbraw/zinc/07/66/14/170076614.db2.gz ZERPBGYFYINPFQ-AWEZNQCLSA-N 1 0 293.754 2.703 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1cccnc1 ZINC000020127617 171012665 /nfs/dbraw/zinc/01/26/65/171012665.db2.gz YCSPHRVHNLKWGI-MNOVXSKESA-N 1 0 258.321 2.905 10 10 CFCERO CC[C@H]([NH2+]Cc1nnc2ccccn21)c1ccccc1O ZINC000020185551 171048565 /nfs/dbraw/zinc/04/85/65/171048565.db2.gz RIUSYMBZJQXHNS-ZDUSSCGKSA-N 1 0 282.347 2.676 10 10 CFCERO CC(C)OCCC[NH2+][C@H](C)c1ccc(O)cc1O ZINC000020198054 171061891 /nfs/dbraw/zinc/06/18/91/171061891.db2.gz QWGOLYORUVAKJT-LLVKDONJSA-N 1 0 253.342 2.564 10 10 CFCERO Oc1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1O ZINC000020204056 171069166 /nfs/dbraw/zinc/06/91/66/171069166.db2.gz POSLVDNEAINXJB-GFCCVEGCSA-N 1 0 259.305 2.858 10 10 CFCERO [NH3+]C[C@@H]1O[C@@H](CC2CCCC2)Cc2c(O)c(O)ccc21 ZINC000026576518 171493390 /nfs/dbraw/zinc/49/33/90/171493390.db2.gz LRRXEOSYJLVRAV-NHYWBVRUSA-N 1 0 277.364 2.619 10 10 CFCERO CC[NH+](CC)CCN(Cc1ccc(N)cc1)C1CC1 ZINC000035366038 172156785 /nfs/dbraw/zinc/15/67/85/172156785.db2.gz HUHKCKJUXJXZBN-UHFFFAOYSA-N 1 0 261.413 2.575 10 10 CFCERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc2ccccc2c1O ZINC000091424523 334378127 /nfs/dbraw/zinc/37/81/27/334378127.db2.gz GDSGSHOVUUNJNB-LKSINWNRSA-N 1 0 271.360 2.967 10 10 CFCERO CC(C)[C@H](C[NH+](C)C)Nc1c(N)cccc1Cl ZINC000049194957 519814959 /nfs/dbraw/zinc/81/49/59/519814959.db2.gz GEDONMHXGRAINU-LBPRGKRZSA-N 1 0 255.793 2.920 10 10 CFCERO CC[N@@H+]1CCC[C@H](Nc2c(N)cccc2Cl)C1 ZINC000049193379 521649481 /nfs/dbraw/zinc/64/94/81/521649481.db2.gz NEQTVVOYFFFCAY-JTQLQIEISA-N 1 0 253.777 2.818 10 10 CFCERO C[NH2+]Cc1ccc(N(C)[C@@H]2CCSC2)cc1C ZINC000050582011 522120625 /nfs/dbraw/zinc/12/06/25/522120625.db2.gz PHRMHQDKTIKGMO-CQSZACIVSA-N 1 0 250.411 2.656 10 10 CFCERO CC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1ccccc1O ZINC000156710377 522948225 /nfs/dbraw/zinc/94/82/25/522948225.db2.gz DTNKXSRBKHMTHG-KGLIPLIRSA-N 1 0 286.379 2.868 10 10 CFCERO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1C ZINC000077204455 524071631 /nfs/dbraw/zinc/07/16/31/524071631.db2.gz QUNVBRPHHTXCFC-GJZGRUSLSA-N 1 0 263.381 2.644 10 10 CFCERO Cc1cccc(C[N@H+]2C[C@H]3CCCCN3C[C@H]2C)c1O ZINC000228177395 524409866 /nfs/dbraw/zinc/40/98/66/524409866.db2.gz NCFFDXXULYWNOM-GDBMZVCRSA-N 1 0 274.408 2.759 10 10 CFCERO C[C@H]([NH3+])c1ccc(N(C)C[C@@H]2CCCO2)c(Cl)c1 ZINC000061696709 524865421 /nfs/dbraw/zinc/86/54/21/524865421.db2.gz JMUBFOGRFDXTLM-JQWIXIFHSA-N 1 0 268.788 2.975 10 10 CFCERO Cc1ccc(O)c(C[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000071407976 525355043 /nfs/dbraw/zinc/35/50/43/525355043.db2.gz QVTOTXVQRPWIRB-OAHLLOKOSA-N 1 0 264.413 2.767 10 10 CFCERO Oc1cc2c(cc1C[NH2+][C@H]1CCc3ccccc31)OCO2 ZINC000042879465 526336272 /nfs/dbraw/zinc/33/62/72/526336272.db2.gz HOGNKKSNGVFDHP-AWEZNQCLSA-N 1 0 283.327 2.898 10 10 CFCERO Oc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1O ZINC000049577251 526344336 /nfs/dbraw/zinc/34/43/36/526344336.db2.gz BYXDMFKCJCDDBL-UHFFFAOYSA-N 1 0 265.259 2.666 10 10 CFCERO COc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)c(OC)c1 ZINC000083586638 536707957 /nfs/dbraw/zinc/70/79/57/536707957.db2.gz USWXWQZAYYEUHV-JSGCOSHPSA-N 1 0 278.396 2.527 10 10 CFCERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(N(C)C)cc1 ZINC000182075201 618889411 /nfs/dbraw/zinc/88/94/11/618889411.db2.gz UTTXXSHIWGVCEC-SJLPKXTDSA-N 1 0 287.451 2.811 10 10 CFCERO COc1cc(Br)cc([C@H]([NH3+])C2CC2)c1O ZINC000095660192 619164995 /nfs/dbraw/zinc/16/49/95/619164995.db2.gz AJVZJBRNQXPKOL-SNVBAGLBSA-N 1 0 272.142 2.573 10 10 CFCERO C[NH2+][C@@H](C)CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000261656208 619188819 /nfs/dbraw/zinc/18/88/19/619188819.db2.gz FLGWZRSRDDQPGN-ZDUSSCGKSA-N 1 0 299.418 2.740 10 10 CFCERO Oc1ccc(Cl)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000156078793 650042578 /nfs/dbraw/zinc/04/25/78/650042578.db2.gz DEBUARKFVFNLBL-CQSZACIVSA-N 1 0 280.799 2.716 10 10 CFCERO Cc1ccc(O)c(C[N@H+]2C[C@H]3CCCCN3C[C@@H]2C)c1 ZINC000211546090 644957603 /nfs/dbraw/zinc/95/76/03/644957603.db2.gz LKYVFTYYQPYXSS-GOEBONIOSA-N 1 0 274.408 2.759 10 10 CFCERO Nc1ccc(Br)c([C@@H]2CCCC[NH2+]2)c1O ZINC000308773853 348405403 /nfs/dbraw/zinc/40/54/03/348405403.db2.gz YNRVKOGWRNVOND-VIFPVBQESA-N 1 0 271.158 2.552 10 10 CFCERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183616869 381294738 /nfs/dbraw/zinc/29/47/38/381294738.db2.gz JKHRJHPVJSTXSL-IPYPFGDCSA-N 1 0 262.397 2.772 10 10 CFCERO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccccc1O ZINC000183536548 381283368 /nfs/dbraw/zinc/28/33/68/381283368.db2.gz ITSHVCMONKMNLI-NEPJUHHUSA-N 1 0 286.379 2.732 10 10 CFCERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297634831 381566819 /nfs/dbraw/zinc/56/68/19/381566819.db2.gz JNADMNMUNCYYAK-HUUCEWRRSA-N 1 0 276.424 2.945 10 10 CFCERO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(Cl)ccc1O ZINC000185662510 381697878 /nfs/dbraw/zinc/69/78/78/381697878.db2.gz XGWFYFIZWMOOKV-BXKDBHETSA-N 1 0 292.770 2.823 10 10 CFCERO CN(C)c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000245513941 383003661 /nfs/dbraw/zinc/00/36/61/383003661.db2.gz DVRGRFFHYSBGTG-SJORKVTESA-N 1 0 274.408 2.896 10 10 CFCERO COc1ccc(O)c(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000281311020 385189661 /nfs/dbraw/zinc/18/96/61/385189661.db2.gz QJWUVDCBTYPRLA-RYUDHWBXSA-N 1 0 279.380 2.694 10 10 CFCERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc(OC)c(F)c1 ZINC000083493184 135024296 /nfs/dbraw/zinc/02/42/96/135024296.db2.gz DBGDWSVQVVTMIJ-NWDGAFQWSA-N 1 0 266.360 2.801 10 10 CFCERO COc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@H]2C)cc1F ZINC000083493162 135024328 /nfs/dbraw/zinc/02/43/28/135024328.db2.gz XWXKOCQNGLJERA-BXUZGUMPSA-N 1 0 266.360 2.657 10 10 CFCERO CC[C@@H]1C[NH2+]CCN1c1ccc(OC(F)(F)F)cc1 ZINC000083540493 135028264 /nfs/dbraw/zinc/02/82/64/135028264.db2.gz HOZZUFKZINAYED-SNVBAGLBSA-N 1 0 274.286 2.773 10 10 CFCERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc(OC)c(OC)c1 ZINC000083586822 135030160 /nfs/dbraw/zinc/03/01/60/135030160.db2.gz FCOKLKYZELSKLL-QWHCGFSZSA-N 1 0 278.396 2.671 10 10 CFCERO CN(C)C(C)(C)C[NH2+]Cc1c(O)ccc2ccccc21 ZINC000020125736 171009001 /nfs/dbraw/zinc/00/90/01/171009001.db2.gz HDUJVYRTXFVRIK-UHFFFAOYSA-N 1 0 272.392 2.975 10 10 CFCERO CC[C@@H]([NH2+]Cc1nnc2ccccn21)c1ccccc1O ZINC000020185549 171048488 /nfs/dbraw/zinc/04/84/88/171048488.db2.gz RIUSYMBZJQXHNS-CYBMUJFWSA-N 1 0 282.347 2.676 10 10 CFCERO Nc1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000020270763 171126603 /nfs/dbraw/zinc/12/66/03/171126603.db2.gz UAZLXYDWZRYSNQ-UHFFFAOYSA-N 1 0 281.403 2.981 10 10 CFCERO Oc1ccc(C[C@H]2[NH2+]CCc3ccccc32)cc1O ZINC000020677058 171269973 /nfs/dbraw/zinc/26/99/73/171269973.db2.gz VWTDJIDABVMGQN-CQSZACIVSA-N 1 0 255.317 2.527 10 10 CFCERO C[C@@H]1CCC[C@@H](C)[NH+]1CCC(=O)Nc1ccc(N)cc1 ZINC000022211032 171373435 /nfs/dbraw/zinc/37/34/35/171373435.db2.gz GHEIVRGSQCRPPL-CHWSQXEVSA-N 1 0 275.396 2.860 10 10 CFCERO C[C@H](C[NH2+]Cc1c(O)ccc2ccccc21)N(C)C ZINC000038088759 174102464 /nfs/dbraw/zinc/10/24/64/174102464.db2.gz VLAGVYSHPYGMRF-GFCCVEGCSA-N 1 0 258.365 2.585 10 10 CFCERO Oc1c(Cn2ccnc2)cc(Cl)cc1Cn1ccnc1 ZINC000038602176 174149514 /nfs/dbraw/zinc/14/95/14/174149514.db2.gz PKQMIWUBLBJKRV-UHFFFAOYSA-N 1 0 288.738 2.535 10 10 CFCERO CCCC[NH+]1CCC([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000165017318 520577528 /nfs/dbraw/zinc/57/75/28/520577528.db2.gz VMRVWKPKGMAFLO-UHFFFAOYSA-N 1 0 280.387 2.885 10 10 CFCERO C[NH2+][C@@H](C)c1ccc(N(C)CCCOC)c(F)c1 ZINC000062032064 522332589 /nfs/dbraw/zinc/33/25/89/522332589.db2.gz MAUCXELTNMVTGI-NSHDSACASA-N 1 0 254.349 2.579 10 10 CFCERO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1O ZINC000228671070 522539546 /nfs/dbraw/zinc/53/95/46/522539546.db2.gz DJJGRQJBUPDBNI-JOYOIKCWSA-N 1 0 285.771 2.711 10 10 CFCERO C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(F)c1[O-] ZINC000164928376 524104819 /nfs/dbraw/zinc/10/48/19/524104819.db2.gz AKKMRBSTWBPZRH-CYBMUJFWSA-N 1 0 280.387 2.885 10 10 CFCERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(F)ccc1O ZINC000226565471 525082727 /nfs/dbraw/zinc/08/27/27/525082727.db2.gz DNKVFNYAYUKYEH-IUODEOHRSA-N 1 0 278.371 2.590 10 10 CFCERO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000273609592 525359831 /nfs/dbraw/zinc/35/98/31/525359831.db2.gz VHSWNXUTZUURAY-BXUZGUMPSA-N 1 0 251.370 2.758 10 10 CFCERO CCN1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000040502911 618196559 /nfs/dbraw/zinc/19/65/59/618196559.db2.gz MFNZIUVLTGSIBZ-HNNXBMFYSA-N 1 0 262.397 2.578 10 10 CFCERO COc1cc(Br)cc([C@@H]([NH3+])C2CC2)c1O ZINC000095673410 619165319 /nfs/dbraw/zinc/16/53/19/619165319.db2.gz AJVZJBRNQXPKOL-JTQLQIEISA-N 1 0 272.142 2.573 10 10 CFCERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000089163428 650829054 /nfs/dbraw/zinc/82/90/54/650829054.db2.gz QZWBXFVTGTYOCO-WMZOPIPTSA-N 1 0 288.435 2.928 10 10 CFCERO C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000126871571 643705933 /nfs/dbraw/zinc/70/59/33/643705933.db2.gz GONMVFISQSHVCE-UWVGGRQHSA-N 1 0 255.745 2.655 10 10 CFCERO CCCCOCCC[NH2+]Cc1cc(C)ccc1O ZINC000083385381 178393895 /nfs/dbraw/zinc/39/38/95/178393895.db2.gz SVZMUYISBZWSTC-UHFFFAOYSA-N 1 0 251.370 2.997 10 10 CFCERO C[C@H]([NH3+])c1ccc(N2CCO[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000103961781 136553683 /nfs/dbraw/zinc/55/36/83/136553683.db2.gz FOVLHTSDZLEBHL-NZVBXONLSA-N 1 0 264.344 2.603 10 10 CFCERO [NH3+]Cc1c(O)ccc(C(F)(F)F)c1C(F)(F)F ZINC000514264481 348640088 /nfs/dbraw/zinc/64/00/88/348640088.db2.gz BBBVQFXZWZSLAP-UHFFFAOYSA-N 1 0 259.149 2.889 10 10 CFCERO CCC[NH2+][C@@H](C)c1ccc(N2CCC(O)CC2)cc1 ZINC000034666815 535186796 /nfs/dbraw/zinc/18/67/96/535186796.db2.gz LQVMQDFTNHAQPJ-ZDUSSCGKSA-N 1 0 262.397 2.708 10 10 CFCERO CCC(=O)Oc1c(C)oc2ccc(O)c(C[NH+](C)C)c21 ZINC000001448315 371674874 /nfs/dbraw/zinc/67/48/74/371674874.db2.gz QHWRYKVINYKCSQ-UHFFFAOYSA-N 1 0 277.320 2.824 10 10 CFCERO COc1ccc(C2=[NH+]CCN2c2ccc(N)cc2)cc1 ZINC000011847817 371931764 /nfs/dbraw/zinc/93/17/64/371931764.db2.gz GBCMSTAVQXEFCT-UHFFFAOYSA-N 1 0 267.332 2.544 10 10 CFCERO [NH3+][C@@H]1Cc2cc(O)c(O)cc2[C@@H](c2ccccc2)C1 ZINC000013557339 372032475 /nfs/dbraw/zinc/03/24/75/372032475.db2.gz SSUNCBAILFPJRJ-CHWSQXEVSA-N 1 0 255.317 2.503 10 10 CFCERO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1N(C)C ZINC000147943069 378253234 /nfs/dbraw/zinc/25/32/34/378253234.db2.gz HJPJXSRDNBLFNK-GUYCJALGSA-N 1 0 284.403 2.927 10 10 CFCERO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1N(C)C ZINC000147942888 378253304 /nfs/dbraw/zinc/25/33/04/378253304.db2.gz HJPJXSRDNBLFNK-DYVFJYSZSA-N 1 0 284.403 2.927 10 10 CFCERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1O ZINC000179202254 380519397 /nfs/dbraw/zinc/51/93/97/380519397.db2.gz NIIPJYOZHMBWKD-SNPRPXQTSA-N 1 0 289.375 2.698 10 10 CFCERO Cc1ccc(O)c(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000282290903 385273314 /nfs/dbraw/zinc/27/33/14/385273314.db2.gz RCYRSJHWSJCWKW-CHWSQXEVSA-N 1 0 263.381 2.994 10 10 CFCERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1ccc(OC)cc1 ZINC000083457318 135023024 /nfs/dbraw/zinc/02/30/24/135023024.db2.gz VQADPBSMMNVCRH-CJNGLKHVSA-N 1 0 262.397 2.908 10 10 CFCERO CCOc1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C)cc1OCC ZINC000083586524 135030162 /nfs/dbraw/zinc/03/01/62/135030162.db2.gz CXVOPBCGHARKBH-STQMWFEESA-N 1 0 278.396 2.671 10 10 CFCERO Oc1ccc2c(c1O)CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000013604048 170568557 /nfs/dbraw/zinc/56/85/57/170568557.db2.gz CVDKFLYPLGVMEO-CQSZACIVSA-N 1 0 269.344 2.745 10 10 CFCERO C[C@H]([NH3+])c1ccc(N(C)CCc2ccccn2)c(F)c1 ZINC000019872775 170902783 /nfs/dbraw/zinc/90/27/83/170902783.db2.gz QAFTVMFTRAUIPQ-LBPRGKRZSA-N 1 0 273.355 2.919 10 10 CFCERO C[C@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1ccncc1 ZINC000020121263 171000622 /nfs/dbraw/zinc/00/06/22/171000622.db2.gz LPIFARRHWKWHEE-QWRGUYRKSA-N 1 0 258.321 2.905 10 10 CFCERO CCCC(=O)Nc1ccc(O)c([C@@H](C)[NH2+]C2CC2)c1 ZINC000021957157 171341969 /nfs/dbraw/zinc/34/19/69/171341969.db2.gz NPCBEOQNIOMEEK-SNVBAGLBSA-N 1 0 262.353 2.944 10 10 CFCERO CCC[NH+](CCC)[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000022156179 171362421 /nfs/dbraw/zinc/36/24/21/171362421.db2.gz SWEGPAKSEHLQSU-GFCCVEGCSA-N 1 0 263.385 2.718 10 10 CFCERO CC[N@H+](CC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000022176458 171370781 /nfs/dbraw/zinc/37/07/81/171370781.db2.gz WPGLMWDMPBJYBG-UHFFFAOYSA-N 1 0 275.396 2.862 10 10 CFCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CCOC1 ZINC000037738237 173658485 /nfs/dbraw/zinc/65/84/85/173658485.db2.gz SSBJPKVXPROCLF-FRRDWIJNSA-N 1 0 261.365 2.875 10 10 CFCERO C[C@@H](C[NH2+][C@@H](C)c1cc(O)ccc1O)N1CCCCC1 ZINC000038028426 174016982 /nfs/dbraw/zinc/01/69/82/174016982.db2.gz WKXOJOVXMBIBJZ-STQMWFEESA-N 1 0 278.396 2.623 10 10 CFCERO COc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)c(O)c1 ZINC000038028714 174017697 /nfs/dbraw/zinc/01/76/97/174017697.db2.gz RAHJZNHRAOIVME-UONOGXRCSA-N 1 0 292.423 2.926 10 10 CFCERO C[C@H](C[NH2+][C@@H](C)c1ccc(O)cc1O)N1CCCCC1 ZINC000038028557 174017789 /nfs/dbraw/zinc/01/77/89/174017789.db2.gz DTKLTVSWRDSXKD-OLZOCXBDSA-N 1 0 278.396 2.623 10 10 CFCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](C)N(C)C ZINC000038088315 174101700 /nfs/dbraw/zinc/10/17/00/174101700.db2.gz GJTSYEHOEYDXCN-JHJVBQTASA-N 1 0 262.397 2.789 10 10 CFCERO CC[NH2+]Cc1ccc(N(CC)[C@@H](C)COC)cc1 ZINC000042777466 174874322 /nfs/dbraw/zinc/87/43/22/174874322.db2.gz YBEOAWDJTCXDMZ-ZDUSSCGKSA-N 1 0 250.386 2.657 10 10 CFCERO